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2-氨基-5-氯吡啶-富马酸(1/2)

2-Amino-5-chloro-pyridine-fumaric acid (1/2).

作者信息

Hemamalini Madhukar, Fun Hoong-Kun

机构信息

X-ray Crystallography Unit, School of Physics, Universiti Sains Malaysia, 11800 USM, Penang, Malaysia.

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2010 May 22;66(Pt 6):o1416-7. doi: 10.1107/S1600536810018192.

DOI:10.1107/S1600536810018192
PMID:21579495
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC2979350/
Abstract

The asymmetric unit of the title compound, C(5)H(5)ClN(2)·0.5C(4)H(4)O(4), comprises a neutral 2-amino-5-chloro-pyridine mol-ecule and one half of a fumaric acid mol-ecule which lies on an inversion center. The dihedral angle between the pyridine ring and the plane formed by the fumaric acid mol-ecule is 3.22 (8)°. The 2-amino-5-chloro-pyridine mol-ecule is planar, with a maximum deviation of 0.004 (1) Å for the pyridine N atom. In the crystal, the 2-amino-5-chloro-pyridine mol-ecules inter-act with the carboxyl groups of fumaric acid mol-ecules through N-H⋯O and O-H⋯N hydrogen bonds, forming centrosymmetric R(2) (2)(8) ring motifs and another N-H⋯O hydrogen bond links these motifs into a two-dimensional network parallel to (100).

摘要

标题化合物C(5)H(5)ClN(2)·0.5C(4)H(4)O(4)的不对称单元包含一个中性的2-氨基-5-氯吡啶分子和位于对称中心的半个富马酸分子。吡啶环与富马酸分子形成的平面之间的二面角为3.22 (8)°。2-氨基-5-氯吡啶分子是平面的,吡啶N原子的最大偏差为0.004 (1) Å。在晶体中,2-氨基-5-氯吡啶分子通过N-H⋯O和O-H⋯N氢键与富马酸分子的羧基相互作用,形成中心对称的R(2) (2)(8)环 motif,另一个N-H⋯O氢键将这些motif连接成平行于(100)的二维网络。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ddb7/2979350/806c1cff8d9e/e-66-o1416-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ddb7/2979350/71bdc367ebfa/e-66-o1416-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ddb7/2979350/806c1cff8d9e/e-66-o1416-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ddb7/2979350/71bdc367ebfa/e-66-o1416-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ddb7/2979350/806c1cff8d9e/e-66-o1416-fig2.jpg

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