Crystal structure of 2-(3-nitro­phen­yl)-1,3-di­thiane

Acta Crystallographica Section E: Crystallographic Communications

Caracelli, I.³  Tiekink, E.R.T.⁴  Stefani, H.A.⁸  Gozhina, O.⁹  Zukerman-Schpector, J.^1,12 

[1] Departamento de FarmáDepartment of Chemistry, University of Malaya, 50603 Kuala Lumpur, Malaysia;Departmento de FíDepartmento de Quícia, Faculdade de Ciêmica, Universidade Federal de Sãncias Farmacêo Carlos, 13565-905 São Carlos, SP, Brazil;o Paulo, 05508-900 São Paulo-SP, Brazil;sica, Universidade Federal de Sãuticas, Universidade de Sã

关键词: CRYSTAL STRUCTURE;    1,3-DITHIANE;    CONFORMATION;    N-O...[PI] INTERACTIONS;   

DOI  :  10.1107/S2056989015002844

学科分类：数学（综合）

来源: International Union of Crystallography

【 摘 要 】

In the title compound, C10H11NO2S2, the 1,3-di­thiane ring has a chair conformation with the 1,4-disposed C atoms being above and below the remaining four atoms. The nitro­benzene substituent occupies an equatorial position and forms a dihedral angle of 88.28 (5)° with the least-squares plane through the 1,3-di­thiane ring. The nitro group is twisted out of the plane of the benzene ring to which it is connected, forming a dihedral angle of 10.12 (3)°. In the crystal, mol­ecules aggregate into supra­molecular zigzag chains (glide symmetry along the c axis) via nitro–benzene N—O⋯π [N—O⋯Cg(benzene) = 3.4279 (18) Å and angle at O = 93.95 (11)°] inter­actions. The chains pack with no specific inter­molecular inter­actions between them.

【 授权许可】

CC BY