苯并呋喃
氢键
化学
呋喃
晶体结构
结晶学
Crystal(编程语言)
戒指(化学)
点反射
生物信息学
立体化学
分子
物理
有机化学
计算机科学
程序设计语言
生物
凝聚态物理
作者
Hong Dae Choi,Pil Ja Seo,Byeng Wha Son,Uk Lee
标识
DOI:10.1107/s1600536808032467
摘要
In the title compound, C12H13BrO2S, there are two symmetry-independent molecules, A and B, in the asymmetric unit. The crystal studied was an inversion twin with a 0.70 (2):0.30 (2) domain ratio. The methylsulfinyl group in molecule B is disordered over two positions with site-occupancy factors fixed at 0.6 and 0.4. The crystal structure is stabilized by C—H⋯O hydrogen bonds and intermolecular C—H⋯π interactions. In addition, the crystal structure exhibits C—Br⋯π interactions, with C—Br⋯Cg1 = 3.646 (8) Å where Cg1 is the centroid of the furan ring.
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