Crystal and geometry-optimized structure, and Hirshfeld surface analysis of 1-(2-bromo­eth­yl)indoline-2,3-dione

Acta Crystallographica Section E: Crystallographic Communications

Venkatesan, P.¹  Sundar, T.V.²  Sharmila, N.²  Sathish, G.³ 

[1] Laboratorio de PolíPostgraduate and Research Department of Physics, National College (Autonomous), Tiruchirappalli 620 001, Tamilnadu, India;School of Chemistry, Bharathidasan University, Tiruchirappalli 620 024, Tamilnadu, India;imeros, Centro de Química Instituto de Ciencias, Beneménoma de Puebla (BUAP), Complejo de Ciencias, ICUAP, Edif. 103H, 22 Sur y San Claudio, C.P. 72570 Puebla, Puebla, Mexico;rita Universidad Autó

关键词: CRYSTAL STRUCTURE;    ISATIN;    C-H...O HYDROGEN BONDS;   

DOI  :  10.1107/S2056989016015760

学科分类：数学（综合）

来源: International Union of Crystallography

【 摘 要 】

In the title compound, C10H8BrNO2, the isatin (1H-indole-2,3-dione) moiety is nearly planar (r.m.s. deviation = 0.026 Å). In the crystal, mol­ecules are linked by C—H⋯O hydrogen bonds, forming layers parallel to the ab plane, and enclosing R44(24) loops. There are a low percentage (19.3%) of inter­molecular H⋯H contacts in the structure, as estimated by the analysis of Hirshfeld surfaces. This could be due to the presence of the Br atom, present in the bromo­ethyl­ene group, which makes ca 18.7% Br⋯H contacts.

【 授权许可】

CC BY