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(E)-2-{[1-(3,11-二甲基-4-亚甲基-10-氧代-1-苯基-4,5,10,11-四氢-1H-苯并[b]吡唑并[3,4-f][1,5]二氮杂萘-5-基)亚乙基]氨基}-N-甲基-N-(3-甲基-1-苯基-1H-吡唑-5-基)苯甲酰胺

(E)-2-{[1-(3,11-Dimethyl-4-methyl-ene-10-oxo-1-phenyl-4,5,10,11-tetra-hydro-1H-benzo[b]pyrazolo-[3,4-f][1,5]diazo-cin-5-yl)ethyl-idene]amino}-N-methyl-N-(3-methyl-1-phenyl-1H-pyrazol-5-yl)benzamide.

作者信息

Meneghetti Fiorella, Maggio Benedetta

机构信息

Department of Pharmaceutical Sciences, University of Milano, via L. Mangiagalli, 25, 20133-Milano, Italy.

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2013 Sep 25;69(Pt 10):o1583. doi: 10.1107/S1600536813025671. eCollection 2013.

Abstract

The central eight-membered ring of the title compound, C40H36N8O2, deviates from the ideal boat conformation because the bond between the exo-ethyl-ene group and the adjacent N atom is twisted by 60.0 (4)° due to steric hindrance. Its adjacent benzene and pyrazole rings are oriented almost perpendicular to each other, making a dihedral angle of 85.8 (3)°. In the crystal, the mol-ecules are linked by C(ar)-H⋯O hydrogen bonds, generating a three-dimensional network.

摘要

标题化合物C40H36N8O2的中心八元环偏离理想的船式构象,因为由于空间位阻,外环乙烯基与相邻氮原子之间的键扭转了60.0(4)°。其相邻的苯环和吡唑环几乎相互垂直取向,二面角为85.8(3)°。在晶体中,分子通过C(芳基)-H⋯O氢键相连,形成三维网络。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/8b3a/3790440/04ccf8dba425/e-69-o1583-fig1.jpg

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