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Relevant bibliographies by topics / Hirshfeld surface analysis

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Academic literature on the topic 'Hirshfeld surface analysis'

Author: Grafiati

Published: 5 June 2025

Last updated: 1 August 2025

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Journal articles on the topic "Hirshfeld surface analysis"

1

Spackman, Mark A., and Dylan Jayatilaka. "Hirshfeld surface analysis." CrystEngComm 11, no. 1 (2009): 19–32. http://dx.doi.org/10.1039/b818330a.

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Rafik, Abdellatif, Hafid Zouihri, and Taoufiq Guedira. "Investigation of Hybrid Organic-Inorganic Dihydrogen Phosphate by Hirshfeld Surface Analysis and Quantum Chemical Analysis." Chemistry & Chemical Technology 17, no. 2 (2023): 244–52. http://dx.doi.org/10.23939/chcht17.02.244.

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This present work undertakes the study of organic-inorganic hybrid material, which has been obtained successfully by an acid-base reaction at room tem-perature and structurally studied by the single crystal X-ray diffraction method. N-(Dicyclopropylmethylamino)-4,5-dihydro-1,3-oxazolium dihydrogenphosphate [10-CN@DP] crystallizes in the triclinic system with the space group P-1. The X-ray structural analysis supported by a Hirshfeld surface analysis of the crystal structure indicates that the most significant contributions to the crystal packing are from H…H (63.3%), H…O/O…H (32.2%) and H…C/C…

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Tarahhomi, Atekeh, Mehrdad Pourayoubi, James A. Golen, et al. "Hirshfeld surface analysis of new phosphoramidates." Acta Crystallographica Section B Structural Science Crystal Engineering and Materials 69, no. 3 (2013): 260–70. http://dx.doi.org/10.1107/s2052519213009445.

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Ling, Irene, Yatimah Alias, Alexandre N. Sobolev, and Colin L. Raston. "Hirshfeld surface analysis of phosphonium salts." CrystEngComm 12, no. 12 (2010): 4321. http://dx.doi.org/10.1039/c002832k.

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Martin, Adam D., Karel J. Hartlieb, Alexandre N. Sobolev, and Colin L. Raston. "Hirshfeld Surface Analysis of Substituted Phenols." Crystal Growth & Design 10, no. 12 (2010): 5302–6. http://dx.doi.org/10.1021/cg1011605.

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Novikov, Anton P., Alexey A. Bezdomnikov, Mikhail S. Grigoriev, and Konstantin E. German. "Synthesis, crystal structure and Hirshfeld surface analysis of 2-(perfluorophenyl)acetamide in comparison with some related compounds." Acta Crystallographica Section E Crystallographic Communications 78, no. 1 (2022): 80–83. http://dx.doi.org/10.1107/s2056989021013359.

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The molecular and crystal structures of the title compound, C8H4F5NO, were examined by single-crystal X-ray diffraction and Hirshfeld surface analysis. The title compound was synthesized by a new method at the interface of aqueous solutions of LiOH and pentafluorophenylacetonitrile. In the crystal, hydrogen bonds and π–halogen interactions connect the molecules into double layers. Analysis of the Hirshfeld surface showed that the most important contributions to the crystal packing are made by F...F (30.4%), C...F/F...C (22.9%), O...H/H...O (14.9%), H...F/F...H (14.0%) and H...H (10.2%) contact

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Pinto, Camila B., Leonardo H. R. Dos Santos, and Bernardo L. Rodrigues. "Understanding metal–ligand interactions in coordination polymers using Hirshfeld surface analysis." Acta Crystallographica Section C Structural Chemistry 75, no. 6 (2019): 707–16. http://dx.doi.org/10.1107/s2053229619005874.

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Properties related to the size and shape of Hirshfeld surfaces provide insight into the nature and strength of interactions among the building blocks of molecular crystals. In this work, we demonstrate that functions derived from the curvatures of the surface at a point, namely, shape index (S) and curvedness (C), as well as the distances from the surface to the nearest external (d e) and internal (d i) nuclei, can be used to help understand metal–ligand interactions in coordination polymers. The crystal structure of catena-poly[[[(1,10-phenanthroline-κ2 N,N′)copper(II)]-μ-4-nitrophthalato-κ2

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Fabbiani, Francesca P. A., Charlotte K. Leech, Kenneth Shankland, et al. "Hirshfeld surface analysis of two bendroflumethiazide solvates." Acta Crystallographica Section C Crystal Structure Communications 63, no. 11 (2007): o659—o663. http://dx.doi.org/10.1107/s0108270107044812.

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Wang, J., X. R. Wu, W. P. Wu, J. Q. Liu, and A. Kumar. "Hirshfeld surface analysis of a Zn(II) polymer." Russian Journal of Coordination Chemistry 41, no. 5 (2015): 321–24. http://dx.doi.org/10.1134/s1070328415050085.

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Wang, J., X. R. Wu, W. P. Wu, J. Q. Liu, and A. Kumar. "Hirshfeld Surface Analysis of a Zn(II) Polymer." Координационная химия 41, no. 5 (2015): 288–91. http://dx.doi.org/10.7868/s0132344x15050084.

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Books on the topic "Hirshfeld surface analysis"

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Maniukiewicz, Waldemar, ed. Synthesis, Crystal Structures and Hirshfeld Surface Analysis of Coordination Compounds (Volume II). MDPI, 2023. http://dx.doi.org/10.3390/books978-3-0365-7929-0.

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Book chapters on the topic "Hirshfeld surface analysis"

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Spackman, Mark A., Peter R. Spackman, and Sajesh P. Thomas. "13 Beyond Hirshfeld surface analysis: Interaction energies, energy frameworks and lattice energies with CrystalExplorer." In Complementary Bonding Analysis. De Gruyter, 2021. http://dx.doi.org/10.1515/9783110660074-013.

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Jamal, Asif, and Md Serajul Haque Faizi. "Crystal Structure, DFT, Hirshfeld Surface Analysis, and Energy Frameworks Study of 8-hydroxy1,2,3,5,6,7-hexahydropyrido [3,2,1-ij]quinoline-9- Carbaldehyde." In Recent Progress in Chemical Science Research Vol. 6. B P International (a part of SCIENCEDOMAIN International), 2023. http://dx.doi.org/10.9734/bpi/rpcsr/v6/5140a.

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Alam, Zeba, Md Serajul Haque Faizi, Asif Jamal, and Necmi Dege. "Crystal Structure, Hirshfeld Surface Analysis, and HOMO-LUMO Study of 4-Ethyl-5-(2-hydroxyphenyl)-2H-1,2,4-Triazole-3(4H)-Thione." In Progress in Chemical Science Research Vol. 6. B P International (a part of SCIENCEDOMAIN International), 2023. http://dx.doi.org/10.9734/bpi/pcsr/v6/18373d.

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Kumar, Ajay, Md Serajul Haque Faizi, Asif Jamal, and Joel T. Mague. "Crystal Structure, DFT Study, Hirshfeld Surface Analysis and Energy Frameworks Investigation of Benzyl 1-benzyl 2-oxo-1,2-dihydroquinoline-4-carboxylate." In Progress in Chemical Science Research Vol. 6. B P International (a part of SCIENCEDOMAIN International), 2023. http://dx.doi.org/10.9734/bpi/pcsr/v6/18411d.

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Souza, Rafael Aparecido Carvalho, Silvana Guilardi, Angélica Faleiros da Silva Maia, Róbson Ricardo Teixeira, and Carolina Gonçalves Oliveira. "CRYSTAL STRUCTURE, HIRSHFELD SURFACE ANALYSIS AND ENERGY FRAMEWORK CALCULATION OF A CHIRAL ISOBENZOFURANONE 3-[2(4-METHYLPHENYL)-2-OXOETHYL]ISOBENZOFURAN-1(3H)-ONE." In Open Science Research III. Editora Científica Digital, 2022. http://dx.doi.org/10.37885/220408475.

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Conference papers on the topic "Hirshfeld surface analysis"

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Baylan, Deniz, and Seda Gunesdogdu Sagdinc. "Hirshfeld surface analysis of diclofenac acid." In TURKISH PHYSICAL SOCIETY 35TH INTERNATIONAL PHYSICS CONGRESS (TPS35). AIP Publishing, 2019. http://dx.doi.org/10.1063/1.5135427.

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Das, Partha Pratim, and Sakuntala Gupta. "Hirshfeld surface analysis of mesomorphic compound." In 66TH DAE SOLID STATE PHYSICS SYMPOSIUM. AIP Publishing, 2024. http://dx.doi.org/10.1063/5.0178181.

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BELEAEV, Ecaterina. "Synthesis, structure and hirshfeld surface analysis of Co(II) pivalate with 1,10-phenanthroline." In "Instruire prin cercetare pentru o societate prosperă", conferinţă ştiinţifico-practică internaţională. Ion Creangă Pedagogical State University, 2024. https://doi.org/10.46727/c.v1.16-17-05-2024.p62-67.

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A new compound with the formula [Co(piv)2(phen)(H2O)] (1) has been synthesized from the reaction of Co(piv)2 (Hpiv = pivalic acid) with 1,10-phenanthroline (phen) in isopropanol/dmso (1:1) mixture and characterized by IR spectroscopy and single crystal X-ray diffraction studies. The analysis of the Hirshfeld surfaces allowed the quantitative and qualitative identification of the main contacts involved in the molecular packing of complexes in crystal. Keywords: coordination compound, cobalt, phenanthroline, pivalate, Hirshfeld surface, X -ray.

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Patel, Mahesh K., Sanjay M. Tailor, and Urmila H. Patel. "DFT study and Hirshfeld surface analysis of third polymorph of sulfamerazine." In INTERNATIONAL CONFERENCE ON CONDENSED MATTER AND APPLIED PHYSICS (ICC 2015): Proceeding of International Conference on Condensed Matter and Applied Physics. Author(s), 2016. http://dx.doi.org/10.1063/1.4946308.

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"Crystal Structure and Hirshfeld Surface Analysis of a Pyrazole Derivative Compound." In 2nd International Conference on Recent Academic Studies ICRAS 2023. All Sciences Academy, 2023. http://dx.doi.org/10.59287/as-proceedings.91.

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Tojiboev, Akmaljon, Sherzod Zhurakulov, Ulli Englert, et al. "Hirshfeld surface analysis and energy framework for crystals of quinazoline methylidene bridged compounds." In The 2nd International Online Conference on Crystals. MDPI, 2020. http://dx.doi.org/10.3390/iocc_2020-07235.

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7

Shruthi, C., V. Ravindrachary, B. Guruswamy, N. K. Lokanath, Karthik Kumara, and Janet Goveas. "Synthesis, crystal structure, NLO and Hirshfeld surface analysis of 1,2,3-triazolyl chalcone single crystal." In 2ND INTERNATIONAL CONFERENCE ON CONDENSED MATTER AND APPLIED PHYSICS (ICC 2017). Author(s), 2018. http://dx.doi.org/10.1063/1.5032805.

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Nithya, S., K. R. Aranganayagam, and B. Chandar Shekar. "Hirshfeld surface analysis of 2-amino-6-methyl pyridinium barbiturate tetrahydrate organic single crystal." In THE 8TH ANNUAL INTERNATIONAL SEMINAR ON TRENDS IN SCIENCE AND SCIENCE EDUCATION (AISTSSE) 2021. AIP Publishing, 2022. http://dx.doi.org/10.1063/5.0110519.

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9

Golubović, L., Violeta Jevtović, Aleksandra Rakić, Dušan Dimić, and Jasmina Dimitrić Marković. "CRYSTALLOGRAPHIC AND HIRSHFELD SURFACE ANALYSIS OF TWO COPPER(II) PYRIDOXAL-AMINOGUANIDINE COMPLEXES CONTAINING DIFFERENT COUNTERIONS (NO3− and SO42−)." In 17th International Conference on Fundamental and Applied Aspects of Physical Chemistry. Society of Physical Chemists of Serbia, 2024. https://doi.org/10.46793/phys.chem24ii.581g.

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Pyridoxal-aminoguanidine (PLAG) is a tridentate ligand known for its complexation with different transition metals. These complexes possess promising anticancer, antioxidant, and catalytic activities. In this contribution, two novel Cu(II)-PLAG complexes with different counterions (NO3− and SO42−) were synthesized, and their crystal structures were solved. The structural differences resulted from the size and charge of counterions leading to the square-pyramidal geometry of the first and square-planar geometry of the second. The Hirshfeld surface analysis was employed to obtain quantitative pa

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"Insights into the Crystal Structure, Hirshfeld Surface, and Void Analysis of a Malononitrile Derivative Compound." In 2nd International Conference on Contemporary Academic Research ICCAR 2023. All Sciences Academy, 2023. http://dx.doi.org/10.59287/as-proceedings.240.

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