Crystal structure of 5-bromo-2,4,6-trimethyl-3-[(2-methylphenyl)sulfinyl]-1-benzofuran

Acta Crystallographica Section E: Crystallographic Communications

Hong Dae Choi¹  Uk Lee² 

[1] Department of Chemistry, Dongeui University, San 24 Kaya-dong, Busanjin-gu, Busan 614-714, Republic of Korea;Department of Chemistry, Pukyong National University, 599-1 Daeyeon 3-dong, Nam-gu, Busan 608-737, Republic of Korea;

关键词: crystal structure;    benzofuran;    π–π interactions;    C—H...π interactions;    C—H...O hydrogen bonds;    Br...Br contacts;   

DOI  :  10.1107/S2056989015013687

来源: DOAJ

【 摘 要 】

In the title compound, C18H17BrO2S, the dihedral angle between the mean planes of the benzofuran [r.m.s. deviation = 0.025 (2) Å] and the 2-methylbenzene rings is 87.87 (5)°. In the crystal, molecules are linked into supramolecular layers parallel to (0-11) by C—H...O hydrogen bonds and Br...Br [3.4521 (5) Å] contacts. These are connected into a three-dimensional architecture via C—H...π interactions, which link inversion-related molecules into dimers, and π–π interactions between the benzene and furan rings [centroid–centroid distance = 3.573 (2) Å].

【 授权许可】

Unknown