Charge Density Analysis of Crystals of Nicotinamide with Salicylic Acid and Oxalic Acid: An Insight into the Salt to Cocrystal Continuum

被引：78

作者：

Hathwar, Venkatesha R. ^{[1
]}

Pal, Rumpa ^{[1
]}

Row, T. N. Guru ^{[1
]}

机构：

[1] Indian Inst Sci, Solid State & Struct Chem Unit, Bangalore 560012, Karnataka, India

来源：

CRYSTAL GROWTH & DESIGN | 2010年 / 10卷 / 08期

关键词：

ANISOTROPIC DISPLACEMENT PARAMETERS; INTERMOLECULAR INTERACTIONS; DIFFRACTION DATA; SMALL-MOLECULE; WAVE-FUNCTIONS; CO-CRYSTALS; HYDROGEN; ATOMS; REFINEMENT; TERNARY;

D O I：

10.1021/cg100457r

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

Charge density analysis from both experimental and theoretical points of view on two molecular complexes: one is formed between nicotinamide and salicylic acid, and the other formed between nicotinamide and oxalic acid brings out the quantitative topological features to distinguish a cocrystal from a salt.

引用

页码：3306 / 3310

页数：5

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