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2-氨基-4,6-二氯嘧啶的第二种单斜晶型多晶型物。

A second monoclinic polymorph of 2-amino-4,6-dichloro-pyrimidine.

作者信息

Fun Hoong-Kun, Chantrapromma Suchada, Jana Subrata, Chakrabarty Rinku, Goswami Shyamaprosad

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2008 Aug 6;64(Pt 9):o1659-60. doi: 10.1107/S1600536808023714.

Abstract

The title chloro-substituted 2-amino-pyrimidine, C(4)H(3)Cl(2)N(3), is a second monoclinic polymorph of this compound which crystallizes in the space group C2/c. The structure was previously reported [Clews & Cochran (1948 ▶). Acta Cryst. 1, 4-11] in the space group P21/a. There are two crystallographically independent mol-ecules in the asymmetric unit and each mol-ecule is planar. The dihedral angle between the two pyrimidine rings is 30.71 (12)°. In the crystal structure, mol-ecules are linked via N-H⋯N inter-molecular hydrogen bonds, forming infinite one-dimensional chains along the a axis. These hydrogen bonds generate R(2) (2)(8) ring motifs. The chains are stacked along the b axis.

摘要

标题化合物氯代-2-氨基嘧啶(C₄H₃Cl₂N₃)是该化合物的第二种单斜晶系多晶型物,其在空间群C2/c中结晶。该结构先前已在空间群P21/a中报道[Clews & Cochran (1948 ▶). Acta Cryst. 1, 4 - 11]。不对称单元中有两个晶体学独立的分子,且每个分子都是平面的。两个嘧啶环之间的二面角为30.71 (12)°。在晶体结构中,分子通过N-H⋯N分子间氢键相连,沿a轴形成无限的一维链。这些氢键产生R(2) (2)(8)环基序。这些链沿b轴堆积。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/0fba/2960503/22ad9657ecbd/e-64-o1659-fig1.jpg

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