Application of the Method of Molecular Voronoi-Dirichlet Polyhedra for Analysis of Noncovalent Interactions in Crystal Structures of Flufenamic Acid-The Current Record-Holder of the Number of Structurally Studied Polymorphs

被引：44

作者：

Serezhkin, Viktor N. ^{[1
]}

Savchenkov, Anton V. ^{[1
]}

机构：

[1] Samara State Univ, Samara 443011, Russia

来源：

CRYSTAL GROWTH & DESIGN | 2015年 / 15卷 / 06期

关键词：

CONFORMATIONAL POLYMORPHISM; SOLVED STRUCTURES; DATABASE;

D O I：

10.1021/acs.cgd.5b00326

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

Crystal Chemical analysis of eight polymorphs of flufenamic acid (EPA, C14H10NO2F3)-the current record-holder of the number of structurally characterized polymorphic modifications-was carried out using the method of molecular Voronoi-Dirichlet polyhedra. It Was proved that every polymorph of FFA, as every polymorph of the previous record-holder ROY. (C12H9N3O2S), has a unique set of types of intra- and, intermolecular noncovalent interactions.

引用

页码：2878 / 2882

页数：5

共 3 条

[1] Application of the Method of Molecular Voronoi-Dirichlet Polyhedra for Analysis of Noncovalent Interactions in Aripiprazole Polymorphs
Serezhkin, Viktor N.
Savchenkov, Anton V.
CRYSTAL GROWTH & DESIGN, 2020, 20 (03) : 1997 - 2003
[2] Advancing the use of Voronoi-Dirichlet polyhedra to describe interactions in organic molecular crystal structures by the example of galunisertib polymorphs
Serezhkin, Viktor N.
Savchenkov, Anton V.
CRYSTENGCOMM, 2021, 23 (03) : 562 - 568
[3] Quantification and Visualization of the Effect of Pressure and Temperature on Atomic Interactions in Crystal Structures with the Method of Molecular Voronoi-Dirichlet Polyhedra on the Example of ROY Polymorphs
Serezhkin, Viktor N.
Pirozhkov, Pavel A.
Savchenkov, Anton V.
CRYSTAL GROWTH & DESIGN, 2024, 24 (05) : 1941 - 1951

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