Hydrogen Bonding Is Not Everything: Extensive Polymorphism in a System with Conserved Hydrogen Bonded Synthons

被引：30

作者：

Fucke, Katharina ^{[1
]}

Qureshi, Naseem ^{[1
]}

Yufit, Dmitry S. ^{[1
]}

Howard, Judith A. K. ^{[1
]}

Steed, Jonathan W. ^{[1
]}

机构：

[1] Univ Durham, Dept Chem, Durham DH1 3LE, England

来源：

CRYSTAL GROWTH & DESIGN | 2010年 / 10卷 / 02期

基金：

英国工程与自然科学研究理事会;

关键词：

SUPRAMOLECULAR SYNTHONS; THERMODYNAMIC RULES; MOLECULAR-CRYSTALS; MULTIPLE MOLECULES; Z'-GREATER-THAN-1; PHARMACEUTICALS; PREDICTION; SYMMETRY; NEUTRON; UREA;

D O I：

10.1021/cg901224f

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

A simple N,N'-diaryl urea derivative was found to form four different anhydrous crystal forms (I-IV degrees), which can be crystallized in pure form by several techniques from solution as well as from the melt. These polymorphs were characterized by thermomicroscopy, differential scanning calorimetry, Fourier-transform infrared spectroscopy and single crystal and powder X-ray diffraction. The polymorphs were found to be purely monotropically related with large differences in their heats of fusion (11.1 kJ mol(-1) for the least stable form 1, 34.5 kJ mol(-1) for the most stable form IV degrees). The crystal structures of all forms show the same conformer for forms I-III and a second conformer in form IV degrees. However, the hydrogen bonding motifs in all of the polymorphs are the same and thus the compound can be seen as a model for the importance of the entire crystal packing arrangement to the overall energy and stability of the crystal form, as opposed to just a few dominant interactions.

引用

页码：880 / 886

页数：7

共 31 条

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