The crystal and molecular structures of cyclohexanone thiosemicarbazone

被引：13

作者：

Casas, JS ^{[1
]}

Castiñeiras, A ^{[1
]}

Lobana, TS ^{[1
]}

Sánchez, A ^{[1
]}

Sordo, J ^{[1
]}

García-Tasende, MS ^{[1
]}

机构：

[1] Univ Santiago, Fac Farm, Dept Quim Inorgan, Santiago De Compostela 15782, Galicia, Spain

来源：

JOURNAL OF CHEMICAL CRYSTALLOGRAPHY | 2001年 / 31卷 / 06期

关键词：

thiosemicarbazones; crystal structure;

D O I：

10.1023/A:1014386930934

中图分类号：

O7 [晶体学];

学科分类号：

0702 ; 070205 ; 0703 ; 080501 ;

摘要：

Cyclohexanone thiosemicarbazone (Hchtsc) crystallizes in the triclinic crystal system with space group P (1) over bar (No. 2) and the following unit cell parameters: a = 6.2989(2), b = 7.9730(3), and c = 9.4118(2) Angstrom; alpha = 79.607(3), beta = 85.519(2), and gamma = 73.50(2)degrees; V = 445.60(2) Angstrom(3), Z = 2. The lengths of the bonds C(1)-S, C(1)-N(1), C(1)-N(2), and N(2)-N(3) suggest electron delocalization in all four. The S atom is trans to N(3), and this E configuration is stabilized by intramolecular hydrogen bonding between N(3) and the N(1)H-2 group. Two intermolecular hydrogen bonds involving the S atom and the N(1)-H(1b) and N(2)-H(2) groups give rise to a polymeric chain of molecule pairs.

引用

页码：329 / 332

页数：4

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