Crystal structure of 5,15-bis-(4-methyl-phen-yl)-10,20-bis-(4-nitro-phen-yl)porphyrin nitro-benzene disolvate

Baptayev B.; Adilov S.

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Crystal structure of 5,15-bis-(4-methyl-phen-yl)-10,20-bis-(4-nitro-phen-yl)porphyrin nitro-benzene disolvate

机译：5,15-双-（4-甲基-苯基-基）-10,20-双-（4-硝基-苯基-基）卟啉硝基苯二溶剂化物的晶体结构

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The whole mol-ecule of the title porphyrin, C46H32N6O4·2C6H5NO2, which crystallized as a nitro-benzene disolvate, is generated by inversion symmetry. The porphyrin macrocycle is almost planar, the maximum deviation from the mean plane of the non-hydrogen atoms is 0.097?(2)??. The aryl rings at the meso positions are inclined to this mean plane by 74.84?(6)° for the nitro-phenyl rings and 73.37?(7)° for the tolyl rings. In the crystal, the porphyrin mol-ecules are linked by C—H?O hydrogen bonds, forming chains along [100]. The solvent mol-ecules are also linked by C—H?O hydrogen bonds, forming chains along [100]. Inter-digitation of the p-tolyl groups along the c axis creates rectangular channels in which the solvent mol-ecules are located.

机译：通过反对称产生结晶为硝基苯二溶剂化物的标题卟啉C46H32N6O4·2C6H5NO2的整个分子。卟啉大环几乎是平面的，与非氢原子的平均平面的最大偏差为0.097π（2）π。内消旋位置的芳基环相对于该平均平面倾斜硝基苯环的74.84？（6）°和甲苯基环的73.37？（7）°。在晶体中，卟啉分子通过CHOH氢键连接，沿着[100]形成链。溶剂分子也通过CHH氢键相连，沿着[100]形成链。对甲苯基基团沿c轴的相互数字化产生了溶剂分子在其中定位的矩形通道。

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《Acta Crystallographica Section E: Crystallographic Communications》 |2018年第1期|共4页
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Baptayev B.; Adilov S.;
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6. Crystal structure of 515-bis(4-methylphenyl)-1020-bis(4-nitrophenyl)porphyrin nitrobenzene disolvate [O] . Bakhytzhan Baptayev, Salimgerey Adilov 2018

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机译：5,15-双（4-甲基苯基）-10,20-双（4-硝基苯基）卟啉硝基苯的晶体结构解离

Crystal structure of 5,15-bis-(4-methyl-phen-yl)-10,20-bis-(4-nitro-phen-yl)porphyrin nitro-benzene disolvate

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