Literature DB >> 18217656

Towards quantitative analysis of intermolecular interactions with Hirshfeld surfaces.

Joshua J McKinnon1, Dylan Jayatilaka, Mark A Spackman.   

Abstract

Enhancements to the properties based on Hirshfeld surfaces enable quantitative comparisons between contributions to crystal packing from various types of intermolecular contacts.

Mesh：

Substances：

Year:  2007        PMID： 18217656     DOI： 10.1039/b704980c

Source DB:  PubMed          Journal:  Chem Commun (Camb)        ISSN： 1359-7345            Impact factor:   6.222


  290 in total

1.  Exceptionally large positive and negative anisotropic thermal expansion of an organic crystalline material.

Authors:  Dinabandhu Das; Tia Jacobs; Leonard J Barbour
Journal:  Nat Mater       Date:  2009-11-22       Impact factor: 43.841

2.  Crystal structure and Hirshfeld surface analysis of (Z)-3-methyl-4-(thio-phen-2-yl-methyl-idene)isoxazol-5(4H)-one.

Authors:  Rima Laroum; Assia Benouatas; Noudjoud Hamdouni; Wissame Zemamouche; Ali Boudjada; Abdelmadjid Debache
Journal:  Acta Crystallogr E Crystallogr Commun       Date:  2021-03-12

3.  The crystal structures, Hirshfeld surface analyses and energy frameworks of 8-{1-[3-(cyclo-pent-1-en-1-yl)benz-yl]piperidin-4-yl}-2-meth-oxy-quinoline and 8-{4-[3-(cyclo-pent-1-en-1-yl)benz-yl]piperazin-1-yl}-2-meth-oxy-quinoline.

Authors:  Nisar Ullah; Helen Stoeckli-Evans
Journal:  Acta Crystallogr E Crystallogr Commun       Date:  2021-03-09

4.  Crystal Engineering Construction of Caffeic Acid Derivatives with Potential Applications in Pharmaceuticals and Degradable Polymeric Materials.

Authors:  Zhihan Wang; Quinton Flores; Hongye Guo; Raquel Trevizo; Xiaochan Zhang; Shihan Wang
Journal:  CrystEngComm       Date:  2020-10-26       Impact factor: 3.545

5.  Crystal structures of two dimeric nickel di-phenyl-acetate com-plexes.

Authors:  A A Nikiforov; D O Blinou; E N Dubrov; N S Panina; A I Ponyaev; V V Gurzhiy; A V Eremin; A I Fischer
Journal:  Acta Crystallogr E Crystallogr Commun       Date:  2019-10-29

6.  Analysis of two novel 1-4 quinolinone structures with bromine and nitrobenzyl ligands.

Authors:  Lidiane J Michelini; Wesley F Vaz; Giulio D C D'Oliveira; Caridad N Pérez; Hamilton B Napolitano
Journal:  J Mol Model       Date:  2019-02-08       Impact factor: 1.810

7.  A method for fast safety screening of explosives in terms of crystal packing and molecular stability.

Authors:  Xiaohua Hu; Nana Chen; Weichen Li
Journal:  J Mol Model       Date:  2016-07-01       Impact factor: 1.810

8.  The crystal structure of the triclinic polymorph of 1,4-bis-([2,2':6',2''-terpyridin]-4'-yl)benzene.

Authors:  Alexander E Sedykh; Dirk G Kurth; Klaus Müller-Buschbaum
Journal:  Acta Crystallogr E Crystallogr Commun       Date:  2019-11-29

9.  Crystal structure, Hirshfeld surface analysis and density functional theory study of 6-methyl-2-[(5-methyl-isoxazol-3-yl)meth-yl]-1H-benzimidazole.

Authors:  Ahlam Idrissi; Karim Chkirate; Nadeem Abad; Bahia Djerrari; Redouane Achour; El Mokhtar Essassi; Luc Van Meervelt
Journal:  Acta Crystallogr E Crystallogr Commun       Date:  2021-03-19

10.  1-Methyl-1-propyl-pyrrolidinium chloride.

Authors:  Pamela M Dean; Jennifer M Pringle; Douglas R Macfarlane
Journal:  Acta Crystallogr Sect E Struct Rep Online       Date:  2008-02-29
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