1-(5-Bromo-2-oxoindolin-3-ylidene)thiosemicarbazone

被引：1

作者：

Bandeira, Katlen C. T. ^{[1
]}

Bresolin, Leandro ^{[1
]}

Nather, Christian ^{[2
]}

Jess, Inke ^{[2
]}

Oliveira, Adriano B. ^{[3
]}

机构：

[1] Univ Fed Rio Grande, Escola Quim & Alimentos, BR-96203903 Rio Grande, RS, Brazil

[2] Christian Albrechts Univ Kiel, Inst Anorgan Chem, D-24118 Kiel, Germany

[3] Univ Fed Sergipe, Dept Quim, Av Marechal Rondon S-N,Campus, BR-49100000 Sao Cristovao, SE, Brazil

来源：

ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS | 2013年 / 69卷

关键词：

data-to-parameter ratio = 16.2; meanω(C - C) = 0.005 A °; Rfactor = 0.039; single-crystal X-ray study; T = 293 K; wRfactor = 0.091;

D O I：

10.1107/S1600536813018564

中图分类号：

O7 [晶体学];

学科分类号：

0702 ; 070205 ; 0703 ; 080501 ;

摘要：

The title molecule, C9H7BrN4OS, is essentially planar [r.m.s. deviation = 0.066 (2) angstrom], the maximum deviation from the mean plane through the non-H atoms being 0.190 (3) angstrom for the terminal amine N atom. In the crystal, molecules are linked through N-H center dot center dot center dot O and N-H center dot center dot center dot S interactions, generating infinite chains along the b-axis direction. In turn, the chains are stacked along the a axis via pi-pi interactions [centroid-centroid distance = 3.470 (2) angstrom] and further connected by N-H center dot center dot center dot Br interactions into a three-dimensional network. An intramolecular N-H center dot center dot center dot O hydrogen bond is also observed.

引用

页码：O1251 / +

页数：8

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