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Dissertations / Theses on the topic 'Crystal Polymorphism'

Author: Grafiati

Published: 4 June 2021

Last updated: 6 September 2023

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1

Svärd, Michael. "Crystal Polymorphism of Substituted Monocyclic Aromatics." Licentiate thesis, KTH, Chemical Engineering and Technology, 2009. http://urn.kb.se/resolve?urn=urn:nbn:se:kth:diva-10501.

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2

Svärd, Michael. "Crystal polymorphism of substituted monocyclic aromatics /." Stockholm : Skolan för kemivetenskap, Kungliga Tekniska högskolan, 2009. http://urn.kb.se/resolve?urn=urn:nbn:se:kth:diva-10501.

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3

Nieuwenhuyzen, Mark. "Crystal engineering and polymorphism : aspects of hydrogen bonding." Thesis, Queen's University Belfast, 1999. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.301029.

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4

Zelaya, Carlos A. "6,6’-Dimethoxygossypol: Molecular Structure, Crystal Polymorphism, and Solvate Formation." ScholarWorks@UNO, 2011. http://scholarworks.uno.edu/td/136.

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6,6’-Dimethoxygossypol (DMG) is a natural product of the cotton variety Gossypium barbadense and a derivative of gossypol. Gossypol has been shown to form an abundant number of clathrates with a large variety of compounds. One of the primary reasons why gossypol can form clathrates has been because of its ability to from extensive hydrogen bonding networks due to its hydroxyl and aldehyde functional groups. Prior to this work, the only known solvate that DMG formed was with acetic acid. DMG has methoxy groups substituted at two hydroxyl positions, and consequently there is a decrease in its ab

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5

Asmadi, Aldi. "Crystal structure prediction : a molecular modellling study of the solid state behaviour of small organic compounds." Thesis, University of Bradford, 2010. http://hdl.handle.net/10454/4441.

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The knowledge of the packing behaviour of small organic compounds in crystal lattices is of great importance for industries dealing with solid state materials. The properties of materials depend on how the molecules arrange themselves in a crystalline environment. Crystal structure prediction provides a theoretical approach through the application of computational strategies to seek possible crystal packing arrangements (or polymorphs) a compound may adopt. Based on the chemical diagrams, this thesis investigates polymorphism of several small organic compounds. Plausible crystal packings of th

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6

Shattock, Tanise R. "Crystal engineering of co-crystals and their relevance to pharmaceutical forms." [Tampa, Fla.] : University of South Florida, 2007. http://purl.fcla.edu/usf/dc/et/SFE0002101.

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7

Hao, Xiang. "STUDIES OF UNUSUAL PACKING AND OF POLYMORPHISM IN TWO CRYSTAL SYSTEMS." UKnowledge, 2005. http://uknowledge.uky.edu/gradschool_diss/285.

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Crystal structures of anhydrous pinacol, the hexagonal pinacol, pinacol monohydrate, and pinacol hexahydrate were studied. In all the structures crystal packing is unusual and complicated. The origin of the complexity may be the difficulty in filling space densely and while also satisfying the H-bonding requirements when the molecule has few internal degrees of freedom. Five 15-crown-5 complexes of M(NO3)2 (M = Cu, Zn, Mg, Co, Mn) were synthesized and characterized using X-ray diffraction and differential scanning calorimetry. The system is rich in polymorphs. Nine definite solid-state phases

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8

BERGANTIN, STEFANO. "Organic semiconductor rubrene: crystal chemistry of derivatives and high-pressure polymorphism." Doctoral thesis, Università degli Studi di Milano-Bicocca, 2014. http://hdl.handle.net/10281/50223.

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Electronic devices based on organic molecules, displaying interesting semiconducting properties, have recently become commercially available after being widely studied for more than twenty years. The focus of the present thesis is the organic semiconductor rubrene, a very promising material in the field of organic electronics, due to its outstanding charge transport properties. The crystal structure of the rubrene derivatives synthesized up to now, to improve the poor solubility of the pristine molecule and its low stability towards oxidation, were analyzed; this was done in order to identify

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9

Karamertzanis, P. G., G. M. Day, G. W. A. Welch, et al. "Modeling the interplay of inter- and intramolecular hydrogen bonding in conformational polymorphs." American Institute of Physics, 2011. http://hdl.handle.net/10454/4734.

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no<br>The predicted stability differences of the conformational polymorphs of oxalyl dihydrazide and ortho-acetamidobenzamide are unrealistically large when the modeling of intermolecular energies is solely based on the isolated-molecule charge density, neglecting charge density polarization. Ab initio calculated crystal electron densities showed qualitative differences depending on the spatial arrangement of molecules in the lattice with the greatest variations observed for polymorphs that differ in the extent of inter- and intramolecular hydrogen bonding. We show that accounting for inductio

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10

Chan, Fung Choy. "Powder X-ray diffraction studies of structural and kinetic aspects of polymorphism." Thesis, King's College London (University of London), 1999. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.327050.

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11

Liu, Chan [Verfasser]. "Crystal stability and polymorphism of syndiotactic polystyrene from multiscale simulations / Chan Liu." Mainz : Universitätsbibliothek Mainz, 2019. http://d-nb.info/1201827272/34.

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12

Biyikli, Kasim. "Nucleation and growth of crystals of pharmaceuticals on functionalized surfaces." Worcester, Mass. : Worcester Polytechnic Institute, 2006. http://www.wpi.edu/Pubs/ETD/Available/etd-020606-165721/.

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13

Aboarayes, Dalia A. "Crystal Engineering of Nutraceutical Cocrystals." Scholar Commons, 2009. https://scholarcommons.usf.edu/etd/1820.

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The work presented herein focus upon crystal engineering of nutraceutical cocrystals. Cocrystals are considered unique solid dosage form which has many advantages over other traditionally known solid forms. Furthermore, cocrystals have proven to improve stability, solubility and bioavailability of Active Pharmaceutical Ingredient (API) as shown in the case of carbamazepine and other APIs in previous studies. Crystal engineering is commonly used to design new solid forms based on the bases of supramolecular chemistry. In this study, crystal engineering based on intensive Cambridge Structural Da

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14

McMahon, Jennifer Anne. "Crystal engineering of novel pharmaceutical forms." [Tampa, Fla] : University of South Florida, 2006. http://purl.fcla.edu/usf/dc/et/SFE0001792.

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15

Svärd, Michael. "Structural, Kinetic and Thermodynamic Aspects of the Crystal Polymorphism of Substituted Monocyclic Aromatic Compounds." Doctoral thesis, KTH, Teknisk strömningslära, 2011. http://urn.kb.se/resolve?urn=urn:nbn:se:kth:diva-33836.

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This work concerns the interrelationship between thermodynamic, kinetic and structural aspects of crystal polymorphism. It is both experimental and theoretical, and limited with respect to compounds to substituted monocyclic aromatics. Two polymorphs of the compound m-aminobenzoic acid have been experimentally isolated and characterized by ATR-FTIR spectroscopy, X-ray powder diffraction and optical microscopy. In addition, two polymorphs of the compound m-hydroxybenzoic acid have been isolated and characterized by ATR-FTIR spectroscopy, high-temperature XRPD, confocal Raman, hot-stage and scan

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16

Wahl, Helene. "Investigation into co-crystal formation with cyclophosphazenes." Thesis, Stellenbosch : Stellenbosch University, 2012. http://hdl.handle.net/10019.1/19939.

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Thesis (MSc)--Stellenbosch University, 2012.<br>ENGLISH ABSTRACT: This study aimed to combine the principles of crystal engineering with the properties of cyclotriphosphazene derivatives to construct supramolecular assemblies in the solid state. The ease with which the chloro substituents on cyclotriphosphazenes can be replaced makes them ideal candidates for this study. The substituents were chosen for their ability to form either hydrogen bonding interactions or halogen bonding interactions in the solid state. The cyclotriphosphazene derivatives were co-crystallised with various small organi

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17

Neumann, M. A., Frank J. J. Leusen, and John Kendrick. "A major advance in crystal structure prediction." Wiley, 2008. http://hdl.handle.net/10454/4740.

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no<br>A crystal ball? A new method for crystal structure prediction combines a tailor-made force field with a density functional theory method incorporating a van der Waals correction for dispersive interactions. In a blind test, the method predicts the correct crystal structure for all four compounds, one of which is a cocrystal. The picture shows the predicted structure of one of the compounds in green and the experimental structure in blue.

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18

Bis, Joanna A. "Crystal engineering of organic compounds including pharmaceuticals." [Tampa, Fla] : University of South Florida, 2006. http://purl.fcla.edu/usf/dc/et/SFE0001424.

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19

Rosbottom, Ian. "The influence of the intermolecular synthons on the molecular aggregation, polymorphism, crystal growth and morphology of p-aminobenzoic acid crystals from solution." Thesis, University of Leeds, 2015. http://etheses.whiterose.ac.uk/12103/.

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Intermolecular pairwise interactions (synthons) have previously been used to predict physical properties of molecular crystals, such as polymorphism, morphology and mechanical properties. The overall goal of this research was to correlate the synthon strength and nature found in the crystal structures of the α- and β-forms of 4-aminobenzoic acid to experimentally observed data, assessing their applicability for predicting crystallisation conditions that would produce crystals of desirable physical properties. The strength and nature of the synthons found in the α-structure were found to signif

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20

Carvajal-Pinal, M. Teresa. "Effects of drug crystal polymorphism on the drug carrier interactions in dry powder mixes for inhalation." Thesis, University of Bath, 2001. https://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.341642.

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21

Sullivan, Rachel. "Molecules, clusters and crystals : the crystallisation of p-aminobenzoic acid from solution." Thesis, University of Manchester, 2015. https://www.research.manchester.ac.uk/portal/en/theses/molecules-clusters-and-crystals-the-crystallisation-of-paminobenzoic-acid-from-solution(ec826e71-782f-4bb0-9dc2-48cf94a7c941).html.

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Nucleation is a key step in the crystallisation process, where a new crystalline solid phase is created from a supersaturated solution. The applications of crystallisation as a purification and separation technique span many industries, yet still no definitive molecular mechanism for nucleation exists. This PhD is part of a critical mass research project involving researchers from both the Universities of Manchester and Leeds. The aim is to reveal the relationship between structural components of the nucleation transition state, solution phase molecular self-assembly and nano cluster formation

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22

Barbero, Mauro. "Chemistry of APIs: Synthesis and Solid-State Properties." Doctoral thesis, Università del Piemonte Orientale, 2020. http://hdl.handle.net/11579/114868.

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Questo programma di dottorato si è focalizzato sia sulla chimica degli APIs, ovvero sui principi attivi farmaceutici, sia su altre importanti molecole utilizzate in ambito farmaceutico. In particolare, sono state analizzate diverse strategie sintetiche, con lo scopo di evidenziare possibili processi sintetici alternativi degli APIs, sono state studiate le trasformazioni chimiche, così come le reazioni di derivatizzazione, di importanti molecole largamente utilizzate campo chimico e chimico farmaceutico. In aggiunta, sono state studiate le proprietà fisico-chimiche di APIs focalizzate a valutar

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23

Viel, Quentin. "De l'amorphe au cristal : etude d'un composé pharmaceutique chiral." Thesis, Normandie, 2017. http://www.theses.fr/2017NORMR048/document.

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Au cours des dernières années, le domaine de la cristallisation a pris de l'importance. Avec l'amélioration de techniques analytiques, la compréhension et la prédiction de structures cristallines deviennent plus précises. Ce travail porte sur l’un des cas limites répertoriés, qui défient la compréhension de la cristallographie, du polymorphisme, des théories de transition de phases et des mécanismes de discrimination chirale. La diprophylline est une molécule chirale d’intérêt pharmaceutique, et rentre dans cette catégorie de cas limites, au moins en ce qui concerne le comportement à la crista

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24

Jadav, Niten B. "Novel Technology for Crystal Engineering of Pharmaceutical Solids." Thesis, University of Bradford, 2018. http://hdl.handle.net/10454/18177.

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The research work described in this thesis, the environmentally friendly novel "Microwave Assisted Sub-Critical water (MASCW)" technology for particle engineering of active pharmaceutical ingredients and excipients was developed. The present novel technology MASCW process is described as green technology as water is used as the solvent medium and microwave energy as external source of heat energy for generation of a particle with different morphological and chemical properties. In MASCW process supersaturated solution of APIs is prepared by dissolving solute in water at high tempe

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25

Day, G. M., T. G. Cooper, A. Cruz-Cabeza, et al. "Significant progress in predicting the crystal structures of small organic molecules ¿ a report on the fourth blind test." International Union of Crystallography, 2009. http://hdl.handle.net/10454/4748.

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no<br>We report on the organization and outcome of the fourth blind test of crystal structure prediction, an international collaborative project organized to evaluate the present state in computational methods of predicting the crystal structures of small organic molecules. There were 14 research groups which took part, using a variety of methods to generate and rank the most likely crystal structures for four target systems: three single-component crystal structures and a 1:1 cocrystal. Participants were challenged to predict the crystal structures of the four systems, given only their molecu

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26

Gaines, Etienne. "The nucleation and growth of meta-aminobenzoic acid : a density functional theory and molecular dynamics study." Thesis, Queen Mary, University of London, 2018. http://qmro.qmul.ac.uk/xmlui/handle/123456789/54056.

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Controlling crystal polymorphism, the ability of a molecule to crystallise in different solid forms, is one of the grand, ongoing challenges in materials science. In the pharmaceutical industry particularly, where up to half of the active pharmaceutical active ingredients exhibit polymorphic behaviour, it is of paramount importance to rationalise the impact of experimental conditions, such as the nature of the solvent, on the obtainment of a specific c crystal form. As strategies for the selection of polymorphs is still, by and large, based on a trial-and-error approach, it is necessary to acq

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27

Portell, Bueso Anna. "Crystal Engineering Studies of Squaric Acid Derivatives." Doctoral thesis, Universitat de Barcelona, 2014. http://hdl.handle.net/10803/285325.

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This thesis is a multidisciplinary study of the solid state of squaric acid derivatives which combines approaches from areas such as crystal engineering, supramolecular chemistry and crystallography. The structural preferences in the solid state of this family of compounds has been analyzed, new crystalline materials derived from squaric acid have been designed in order to study new supramolecular synthons and relevant chemical phenomena such as template effect, preorganization, cooperativity and electrostatic compression have been explored. In summary, 47 polymorphs, solvates, cocrystals

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28

Verhaven, Alexandra. "Fluorescent detection of DNA single nucleotide polymorphism by electric field assisted hybridization/melting of surface-immobilized oligonucleotides." Doctoral thesis, Universite Libre de Bruxelles, 2020. http://hdl.handle.net/2013/ULB-DIPOT:oai:dipot.ulb.ac.be:2013/314944.

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RésuméLes monocouches auto-assemblées d'ADN immobilisées sur électrodes d'or sont à la base de nombreux biocapteurs électrochimiques. Le contrôle du comportement interfacial de l'ADN par le biais d'un champ électrique est intéressant pour la détection de polymorphisme nucléotidique simple (PNS). La caractérisation in situ de monocouches d'ADN à l'échelle moléculaire est importante pour la fabrication de biocapteurs robustes, fiables et sensibles.La thèse porte sur la détection du PNS dans l'ADN par le biais d'hybridation/dénaturation induite par le champ électrique. La microscopie de fluoresce

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29

Silva, Keila Façanha. "Estudo do polimorfismo e desenho de cocristais dos anti-helminticos ricobendazol e albendazol." reponame:Repositório Institucional da UFC, 2016. http://www.repositorio.ufc.br/handle/riufc/22550.

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SILVA, K. F. Estudo do polimorfismo e desenho de cocristais dos anti-helminticos ricobendazol e albendazol. 2016. 80 f. Dissertação (Mestrado em Física) – Centro de Ciências, Universidade Federal do Ceará, Fortaleza, 2016.<br>Submitted by Giordana Silva (giordana.nascimento@gmail.com) on 2017-04-18T18:18:26Z No. of bitstreams: 1 2016_dis_kfbatista.pdf: 28307438 bytes, checksum: 68389a7bb1335fb08ea6dab7e0ce7b95 (MD5)<br>Approved for entry into archive by Giordana Silva (giordana.nascimento@gmail.com) on 2017-04-18T18:18:45Z (GMT) No. of bitstreams: 1 2016_dis_kfbatista.pdf: 28307438 bytes, chec

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Pagire, Sudhir K. "Novel Methods for Co-crystallisation." Thesis, University of Bradford, 2014. http://hdl.handle.net/10454/12841.

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Pagire, Sudhir Kashinath. "Novel methods for co-crystallisation." Thesis, University of Bradford, 2014. http://hdl.handle.net/10454/12841.

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The research described in this dissertation mainly covers the development of novel technologies for co-crystallisation along with the discovering of plumbagin co-crystal and thermodynamic interrelationship between the co-crystal polymorphs. Co-crystallisation is a fast growing field in the area of crystal design and has shown potential advantages in the field of pharmaceutical. Currently, many research groups are working on the development of new technologies for the synthesis of pure and stoichiometrically controlled co-crystals. In present study, three novel technologies have been developed

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32

Presti, Davide. "Quantum computational methodologies for the study of molecular crystals." Thesis, Paris 6, 2015. http://www.theses.fr/2015PA066101/document.

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Les cristaux moléculaires présentent des applications importantes dans l'électronique/l'optoélectronique, les systèmes 'host-guest', ou encore pour des systèmes mécaniques photo-actifs.Les propriétés mentionnées ci-dessus sont sensiblement affectées par le polymorphisme, qui influence le comportement de chaque composé présent dans une forme cristalline définie. Ce phénomène est rendu difficile à étudier de par la présence d'interactions de dispersion et/ou liaisons hydrogène.Avec l'objectif de décrire précisément ces interactions, et pour prédire des propriétés électroniques, une approche de m

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33

Nguyen, Thi Yen. "Polymorphism of Organic Molecular Crystals." Doctoral thesis, Humboldt-Universität zu Berlin, 2018. http://dx.doi.org/10.18452/18812.

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Die Kristallisation ist ein wichtiger Teilprozess bei der industriellen Herstellung vieler Materialien und Medikamente. Es ist jedoch ein vielschichtiger, physikalischer Vorgang, der noch nicht vollständig aufgeklärt ist. Der Schwerpunkt dieser Arbeit liegt auf der Kristallisation von organischen, polymorphen Verbindungen aus unterschiedlichen Lösungsmitteln. Die Kristallisationsstudien wurden in einem akustischen Levitator mit Klimakammer, der den Einfluss von Temperatur, Feuchtigkeit und festen Oberflächen steuert, durchgeführt. Verschiedene analytische in-situ-Methoden und deren Koppl

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34

Bartle, Elizabeth Anne. "The polymorphism of binary lipid mixtures." Thesis, University of Southampton, 1991. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.305427.

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35

Artigas, Alava Miguel José. "Contribution à l'étude du polymorphisme des phases MM'X (M,M' = métaux de transition, X=P, As)." Grenoble 1, 1992. http://www.theses.fr/1992GRE10133.

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L'existence de nouvelles varietes polymorphiques a structures cristallines plus complexes que celles des types fondamentaux fe#2as,fe#2p et co#2p nous a conduit a proposer une vue cristallochimique generalisee des phases mm'x. Leurs structures sont decrites en terme de polytypes qui peuvent etre engendres par differentes combinaisons d'une unite structurale pseudo-rhomboedrique, ce qui a permis d'envisager des modeles idealises pour les nouveaux polytypes. L'etude cristallographique des nouveaux polytypes de fepdp,ferhp et co#2as permet alors, par comparaison avec le modele idealise, d'analyse

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36

Lee, Rachael. "Extreme conditions crystallography of polymorphic co-crystals." Thesis, Durham University, 2017. http://etheses.dur.ac.uk/12065/.

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This work has two principal sections. The first section is a study of the hydrogen bonding in a series of urea inclusion compounds, utilising neutron diffraction methods and a novel technique for growing neutron diffraction-suitable single crystals. The second section focusses on high pressure crystallography as a technique for exploring polymorphic landscapes, of a series of acid-base co-crystals, and the well-known active pharmaceutical ingredient 5-methyl-2-[(2-nitrophenyl)amino]-3-thiophenecarbonitrile (ROY). Single crystal neutron structures at several temperatures have been determined fo

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37

Williams, Ceili. "Structure/property relationships in a polymorphic nonlinear optical crystal." Thesis, University of Oxford, 1992. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.314895.

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38

Dichiarante, Elena <1983&gt. "Polymorphs solvates and co-crystals of molecular materials." Doctoral thesis, Alma Mater Studiorum - Università di Bologna, 2011. http://amsdottorato.unibo.it/3590/1/Dichiarante_Elena_Tesi.pdf.

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The scope of my research project is to produce and characterize new crystalline forms of organic compounds, focusing the attention on co-crystals and then transferring these notions on APIs to produce co-crystals of potential interest in the pharmaceutical field. In the first part of this work co-crystallization experiments were performed using as building blocks the family of aliphatic dicarboxylic acids HOOC-(CH2)n-COOH, with n= 2-8. This class of compounds has always been an object of study because it is characterized by an interesting phenomenon of alternation of melting points: the acids

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Dichiarante, Elena <1983&gt. "Polymorphs solvates and co-crystals of molecular materials." Doctoral thesis, Alma Mater Studiorum - Università di Bologna, 2011. http://amsdottorato.unibo.it/3590/.

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The scope of my research project is to produce and characterize new crystalline forms of organic compounds, focusing the attention on co-crystals and then transferring these notions on APIs to produce co-crystals of potential interest in the pharmaceutical field. In the first part of this work co-crystallization experiments were performed using as building blocks the family of aliphatic dicarboxylic acids HOOC-(CH2)n-COOH, with n= 2-8. This class of compounds has always been an object of study because it is characterized by an interesting phenomenon of alternation of melting points: the acids

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40

Perold, Zak. "The polymorphic and pseudopolymorphic behaviour of gatifloxacin crystal modifications / Zak Perold." Thesis, North-West University, 2006. http://hdl.handle.net/10394/1420.

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41

Day, Graeme Matthew. "Lattice dynamical studies of molecular crystals with application to polymorphism and structure prediction." Thesis, University College London (University of London), 2003. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.404411.

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42

Capacci-Daniel, Christina Anne. "Crystal growth of polymorphic bis-diphenyl ureas on self-assembled monolayer templates." Connect to Electronic Thesis (CONTENTdm), 2009. http://worldcat.org/oclc/463440944/viewonline.

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43

Lemmer, Helanie. "Thermal kinetics and crystal structure of dapsone polymorphs and solvates / Helanie Lemmer." Thesis, North-West University, 2012. http://hdl.handle.net/10394/8727.

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Dapsone (DDS) is currently used in the treatment of leprosy and prophylaxis of opportunistic bacterial infections in immune-compromised patients. Despite the age of this drug; not much is known about the interrelationships between its polymorphs. Also, no previous polymorphic screening studies have been done to determine the probability of solvate formation when exposed to various solvents. Re-evaluation of DDS using modern techniques and equipment such as a variable temperature x-ray diffractometer (VTXRD) and modulated temperature differential scanning calorimeter (MTDSC) were crucial to cla

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44

Gervais, Claire. "Proposition of a model generating derived crystal structures from a given lattice." Rouen, 2002. http://www.theses.fr/2002ROUES057.

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Un modèle de construction de structures cristallines basé sur l'utilisation d'un empilement cristallin existant est présenté. Le protocole de construction de ce modèle appelé " Derived Crystal Packings " (DCP) peut se résumer en deux étapes :(i)extraction de fragments périodiques (PF) d'une structure expérimentale et (ii) application d'opérateurs de symétrie sur ces PFs, permettant de régénérer de nouveaux empilements cristallins. Le modèle DCP est appliqué à une famille de 5-alkyl-5-aryl-hydantoines, ainsi qu'à des structures provenant de la Cambridge Structural Database. Sa capacité à prédir

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45

Rivera, Sharon A. "Inelastic neutron scattering and quantum mechanical calculations of polymorphic organic crystals." Related electronic resource: Current Research at SU : database of SU dissertations, recent titles available full text, 2008. http://wwwlib.umi.com/cr/syr/main.

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46

Martin, Craig Robert Leslie. "Crystal engineering approaches to controlling the formation of molecular complexes and their polymorphs." Thesis, University of Glasgow, 2012. http://theses.gla.ac.uk/3154/.

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This work aimed to investigate and exploit the hydrogen bonds generated between heterocyclic aromatic compounds, namely benzimidazole and imidazole, and the carboxylic acid group. The flexible but robust hydrogen bonds generated have been used to create molecular complexes, using practical and relevant co-molecules. A systematic approach has been used in the selection of co-molecules on the basis of crystal engineering principles. A library of robust hydrogen bonds and primary structural motifs has been generated, which has been used to explain the solid-state assembly of the collection of mol

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47

Nguyen, Thi Yen [Verfasser], Klaus [Gutachter] Rademann, Kannan [Gutachter] Balasubramanian, and Ute [Gutachter] Kolb. "Polymorphism of Organic Molecular Crystals / Thi Yen Nguyen ; Gutachter: Klaus Rademann, Kannan Balasubramanian, Ute Kolb." Berlin : Humboldt-Universität zu Berlin, 2018. http://d-nb.info/1185578706/34.

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48

Sheridan, Andrew Keith. "Kinetics and temperature- and pressure-induced polymorphic phase transformations in molecular crystals." Thesis, King's College London (University of London), 1994. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.322597.

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49

Oswald, Iain D. H. "Rationalisation and design of hydrogen bonding patterns in co-crystals and polymorphs." Thesis, University of Edinburgh, 2004. http://hdl.handle.net/1842/15564.

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Abstract:

The crystal structures of five hemiadducts of paracetamol with 1,4-dioxane, N-methylmorpholine, morpholine, N,N-dimethylpiperazine and piperazine, and a related 1:1 adduct of paracetamol with 4,4’-bipyridine are described. All structures are characterised by the formation of chains of paracetamol molecules, linked either via OH…O=C interactions [C(9) chains in graph set notation] or NH..O=C interactions [C(4) chains], depending on the presence or absence of substituent groups on the guest molecule. In all cases except for the morpholine and bipyridine adduct these chains are connected by H-bon

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50

Pauchet, Morgan. "Application of the derived crystal packing model to molecular crstals grown in solutions or in gels." Rouen, 2007. http://www.theses.fr/2007ROUES056.

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Abstract:

The Derived Crystal Packing (DCP) model has been partly automated. The docking step can be handled by two computer program. They are tested on two couples of enantiomer / racemic compound to underline their structural similarities. The limits of the model are also discussed. A second part of the study is devoted to the experimentation of the crystallization in gel. This technique is tested with the gel precursor Tetramethoxysilane on several organic compounds. Different methods for the crystallization are described. In addition, a theoretical as well as experimental study is carried out on (±)

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