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内消旋四(4-硝基苯基)卟啉硝基苯溶剂化物的晶体结构

Crystal structure of meso-tetra-kis-(4-nitro-phen-yl)porphyrin nitro-benzene disolvate.

作者信息

Seredyuk Maksym, Gumienna-Kontecka Elzbieta, Brzuszkiewicz Anna, Iskenderov Turganbay S, Kalibabchuk Valentina A

机构信息

National Taras Shevchenko University, Department of Chemistry, Volodymyrska str. 64, 01601 Kyiv, Ukraine.

Faculty of Chemistry, University of Wroclaw, 14, F. Joliot-Curie Str., 50383, Wroclaw, Poland.

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2014 Oct 4;70(Pt 11):o1147-8. doi: 10.1107/S1600536814021503. eCollection 2014 Nov 1.

Abstract

The porphyrin core of the title centrosymmetric compound, C44H26N8O8·2C6H5NO2, is approximately planar, the maximum deviation being 0.069 (3) Å. The planes of the benzene rings of the nitro-phenyl substituents are almost perpendicular to the porphyrin mean plane, making dihedral angles of 73.89 (9) and 89.24 (9)°. The two pyrrole ring H atoms are equally disordered over the four pyrrole ring N atoms. In the crystal, weak C-H⋯O and C-H⋯N hydrogen bonds link the porphyrin mol-ecules into a three-dimensional supra-molecular network. The nitro-benzene solvent mol-ecules are linked by weak C-H⋯O hydrogen bonds into supra-molecular chains propagating along the a-axis direction.

摘要

标题为C44H26N8O8·2C6H5NO2的中心对称化合物的卟啉核心近似呈平面状,最大偏差为0.069 (3) Å。硝基苯基取代基的苯环平面几乎垂直于卟啉平均平面,二面角分别为73.89 (9)°和89.24 (9)°。两个吡咯环H原子在四个吡咯环N原子上的无序程度相同。在晶体中,弱的C—H⋯O和C—H⋯N氢键将卟啉分子连接成三维超分子网络。硝基苯溶剂分子通过弱的C—H⋯O氢键连接成沿a轴方向延伸的超分子链。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/5b60/4257332/bc2e0af1b21b/e-70-o1147-fig1.jpg

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