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7-氯-5-环丙基-9-甲基-5H-4,5,6,10-四氮杂二苯并[a,d]环庚烯-11(10H)-酮

7-Chloro-5-cyclo-propyl-9-methyl-5H-4,5,6,10-tetra-aza-dibenzo[a,d]cyclo-hepten-11(10H)-one.

作者信息

Naveen S, Thimmegowda N R, Manjunath H R, Sridhar M A, Prasad J Shashidhara, Rangappa K S

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2011 Jun 1;67(Pt 6):o1445-6. doi: 10.1107/S1600536811018022. Epub 2011 May 20.

DOI:10.1107/S1600536811018022
PMID:21754822
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3120426/
Abstract

In the title compound, C(15)H(13)ClN(4)O, which is a chloro derivative of the drug Nevirapine, the diazepine ring is in a twisted boat conformation. The pyridine rings fused to the diazepine fragment form a dihedral angle of 58.44 (10)° and the mol-ecule adopts a butterfly shape. The mol-ecules are joined via N-H⋯N hydrogen bonding into polymeric chains down the b axis. All weaker C-H⋯O inter-actions involve the carbonyl O atom as acceptor.

摘要

在标题化合物C₁₅H₁₃ClN₄O中，它是药物奈韦拉平的氯代衍生物，二氮杂卓环呈扭曲船式构象。与二氮杂卓片段稠合的吡啶环形成58.44 (10)°的二面角，分子呈蝴蝶形状。分子通过N—H⋯N氢键沿b轴连接成聚合物链。所有较弱的C—H⋯O相互作用均以羰基O原子作为受体。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b3fb/3120426/dbd9e67e1ed6/e-67-o1445-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b3fb/3120426/dbd9e67e1ed6/e-67-o1445-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b3fb/3120426/dbd9e67e1ed6/e-67-o1445-fig1.jpg

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