F. S. Narmanova, Kh. Kh. Turaev, Sh. A. Kasimov, A. B. Ibragimov, A. S. Normamatov, A. Kh. Ruzmetov, I. J. Mengnorov, C. Balakrishnan, A. G. Eshimbetov, J. M. Ashurov
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引用次数: 0
摘要
通过制备 4-amino-3-nitrobenzoic acid（4-A3NBA-P）的三linic 晶体，与已知的单斜晶体相比，确定了该化合物的多态性。单斜晶体被称为多晶型 I，而三斜晶体被称为多晶型 II。在前一种多晶型中，4-A3NBA 分子通过 H 键与三维网络相连，而在后一种多晶型中，H 键层通过 π---π 相互作用融入晶体结构。因此，Hirshfeld 表面分析表明，多晶体 II 的 O-H/H-O 相互作用比例（约 39.1%）低于多晶体 I（54.5%）。TG-DTA 研究证明，不存在 "多晶体 II → 多晶体 I "的相变。
The structure and Hirshfeld surface analysis of the 4-amino 3-nitrobenzoic acid triclinic polymorph
By preparation of 4-amino-3-nitrobenzoic acid (4-A3NBA-P) in the triclinic crystal form in contrast to known monoclinic crystals polymorphism of this compound has been established. The monoclinic form is called polymorph I, while triclinic crystals are designated as polymorph II. In the former polymorph, 4-A3NBA molecules are associated with the 3D network by H-bonds, while in the case of the latter polymorph, the H-bonded layers are incorporated into crystal structure by π•••π interactions. Therefore, Hirshfeld surface analyses indicate that the percentage of the O•••H/H•••O interactions of polymorph II (~ 39.1%) is less than that of polymorph I (54.5%). The TG-DTA studies attest that there is no “polymorph II → polymorph I” phase transition.
期刊介绍：
Structural Chemistry is an international forum for the publication of peer-reviewed original research papers that cover the condensed and gaseous states of matter and involve numerous techniques for the determination of structure and energetics, their results, and the conclusions derived from these studies. The journal overcomes the unnatural separation in the current literature among the areas of structure determination, energetics, and applications, as well as builds a bridge to other chemical disciplines. Ist comprehensive coverage encompasses broad discussion of results, observation of relationships among various properties, and the description and application of structure and energy information in all domains of chemistry.
We welcome the broadest range of accounts of research in structural chemistry involving the discussion of methodologies and structures,experimental, theoretical, and computational, and their combinations. We encourage discussions of structural information collected for their chemicaland biological significance.
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