苯并[a][1,4]苯并噻嗪并[3,2-c]苯并噻嗪。

IUCrData Pub Date : 2024-04-01 DOI:10.1107/S2414314624003572
Mamoun M. Bader , Phuong-Truc T. Pham , Salma S. Abu Khodair , Maysoon I. Saleh , S.-L. Zheng (Editor)
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引用次数: 0

摘要

标题化合物 C22H12N2S2 在空间群 P21/c 中结晶,不对称单元中有四个分子单元。杂环分子单元为准平面,分子单元外围的苯基环之间的二面角为 1.73 (19)°。晶体中观察到短的 H⋯S (2.92 Å)和 C-H⋯π [2.836 (3) Å] 接触,沿 b 轴的短 π-π 堆积距离为 3.438 (3) Å。令人惊讶的是,与一种密切相关的材料不同,这种分子很容易通过升华和从二氯甲烷中缓慢蒸发形成大晶体。紫外可见光谱的最大吸光度为 533 纳米。在 533 纳米波长的激发下测量发射,荧光 λmax 为 658 纳米波长,截止波长为 900 纳米波长。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
Benzo[a][1,4]benzothia­zino[3,2-c]phenothia­zine

The title compound crystallizes in space group P21/c with four mol­ecules in the asymmetric unit.

The title compound, C22H12N2S2, crystallizes in space group P21/c with four mol­ecules in the asymmetric unit. The heterocyclic mol­ecule is quasi-planar with a dihedral angle between the phenyl rings on the periphery of the mol­ecule of 1.73 (19)°. Short H⋯S (2.92 Å) and C—H⋯π [2.836 (3) Å] contacts are observed in the crystal with shorted π–π stacking distances of 3.438 (3) Å along the b axis. Surprisingly, and unlike a closely related material, this mol­ecule readily forms large crystals by sublimation and by slow evaporation from di­chloro­methane. The maximum absorbance in the UV-Vis spectrum is at 533 nm. Emission was measured upon excitation at 533 nm with a fluorescence λmax of 658 nm and cutoff of 900 nm.

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