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具有强效利尿特性的1H-吡咯并[3,2,1-ij]喹啉-5-甲酰胺的多晶型修饰物。

Polymorphic modifications of a 1H-pyrrolo[3,2,1-ij]quinoline-5-carboxamide possessing strong diuretic properties.

作者信息

Shishkina Svitlana V, Levandovskiy Igor A, Ukrainets Igor V, Sidorenko Lyudmila V, Grinevich Lina A, Yanchuk Igor B

机构信息

SSI `Institute for Single Crystals' NAS of Ukraine, 60 Nauky ave., Kharkiv 61001, Ukraine.

Department of Organic Chemistry, National Technical University of Ukraine, Pr. Pobedy 37, 03056 Kiev, Ukraine.

出版信息

Acta Crystallogr C Struct Chem. 2018 Dec 1;74(Pt 12):1759-1767. doi: 10.1107/S2053229618016352. Epub 2018 Nov 27.

DOI:10.1107/S2053229618016352
PMID:30516162
Abstract

6-Hydroxy-N-(4-methoxyphenyl)-4-oxo-2,4-dihydro-1H-pyrrolo[3,2,1-ij]quinoline-5-carboxamide, CHNO, possesses strong diuretic properties and can be used as a new hypertension remedy. Two polymorphic modifications of this compound have been found, namely the triclinic polymorph (space group P-1), with one molecule in the asymmetric unit, and the monoclinic polymorph (space group P2/n), with two molecules in asymmetric unit. An analysis of the pairwise interaction energies between the molecules in the crystal phase revealed differences in the crystal packing. The triclinic form has only one level of organization, namely a chain/column, while the monoclinic form has two levels of organization, with a chain/column as the primary basic structural motif and a layer as the secondary basic structural motif.

摘要

6-羟基-N-(4-甲氧基苯基)-4-氧代-2,4-二氢-1H-吡咯并[3,2,1-ij]喹啉-5-甲酰胺(C₁₉H₁₃NO₄)具有很强的利尿特性,可作为一种新型高血压治疗药物。已发现该化合物的两种多晶型变体,即三斜多晶型(空间群P-1),其不对称单元中有一个分子,以及单斜多晶型(空间群P2/n),其不对称单元中有两个分子。对晶相中分子间成对相互作用能的分析揭示了晶体堆积的差异。三斜晶型只有一种组织层次,即链/柱,而单斜晶型有两种组织层次,以链/柱作为主要基本结构基序,以层作为次要基本结构基序。

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