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2-氯-3-(4-氯苯甲酰胺基)-1,4-萘醌

2-Chloro-3-(4-chloro-benzamido)-1,4-naphthoquinone.

作者信息

Brandy Yakini, Butcher Ray J, Adesiyun Tolulope A, Berhe Solomon, Bakare Oladapo

机构信息

Department of Chemistry, Howard University, 525 College Street NW, Washington, DC 20059, USA.

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2008 Dec 10;65(Pt 1):o64. doi: 10.1107/S1600536808040993.

DOI:10.1107/S1600536808040993
PMID:21581704
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC2967976/
Abstract

The naphthoquinone ring is almost perpendicular [dihedral angle 71.02 (3)°] to the phenyl group of the title compound, C(17)H(9)Cl(2)NO(3), while the dihedral angle between the amide group and the 4-chloro-phenyl ring is 21.9 (2)°. The conformation of the N-H and C=O bonds are anti to each other. N-H⋯Cl hydrogen bonds link the mol-ecules into chains in the a-axis direction. In addition, these chains are linked by weak inter-molecular C-H⋯O inter-actions.

摘要

萘醌环几乎与标题化合物C(17)H(9)Cl(2)NO(3)的苯基垂直[二面角为71.02 (3)°]，而酰胺基与4-氯苯基环之间的二面角为21.9 (2)°。N-H和C=O键的构象相互呈反式。N-H⋯Cl氢键将分子沿a轴方向连接成链。此外，这些链通过弱分子间C-H⋯O相互作用相连。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/6c32/2967976/70f379840d94/e-65-00o64-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/6c32/2967976/d79680575a50/e-65-00o64-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/6c32/2967976/70f379840d94/e-65-00o64-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/6c32/2967976/d79680575a50/e-65-00o64-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/6c32/2967976/70f379840d94/e-65-00o64-fig2.jpg

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