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3-(2-Amino-1,3-thia-zol-4-yl)-6-chloro-2H-chromen-2-one.

作者信息

Chopra Deepak, Choudhury A R, Venugopala K N, Govender Thavendran, Kruger Hendrik G, Maguire Glenn E M, Guru Row T N

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2009 Nov 18;65(Pt 12):o3111. doi: 10.1107/S1600536809048247.

DOI:10.1107/S1600536809048247
PMID:21578837
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC2971916/
Abstract

The title compound, C(12)H(7)ClN(2)O(2)S, crystallizes with two mol-ecules in the asymmetric unit. The mol-ecular conformation is roughly planar for both these mol-ecules with maximum deviations of 0.177 (3) and 0.076 (4) Å from their respective mean planes. In the crystal, strong N-H⋯N and weak but highly directional C-H⋯O hydrogen bonds provide the links between the mol-ecules. The structure is further stabilised by aromatic π-π stacking inter-actions with centroid-centroid distances in the range 3.650 (3)-3.960 (3) Å.

摘要
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/75b5/2971916/1ccfacf6f3f9/e-65-o3111-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/75b5/2971916/6786f061b583/e-65-o3111-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/75b5/2971916/1ccfacf6f3f9/e-65-o3111-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/75b5/2971916/6786f061b583/e-65-o3111-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/75b5/2971916/1ccfacf6f3f9/e-65-o3111-fig2.jpg

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