1,1′-Diphenyl-3,3′-(p-phenylenedicarbonyl)dithiourea

被引:7
作者
Hung, Wong W. [1 ]
Hassan, Ibrahim N. [1 ]
Yamin, Bohari M. [1 ]
Kassim, Mohammad B. [1 ]
机构
[1] Univ Kebangsaan Malaysia, Fac Sci & Technol, Sch Chem Sci & Food Technol, Bangi Selangor 43600, Malaysia
来源
ACTA CRYSTALLOGRAPHICA SECTION E-STRUCTURE REPORTS ONLINE | 2010年 / 66卷
关键词
Data-to-parameter ratio = 13.3; Mean σ(C-C) = 0.004 Å; R factor = 0.051; Single-crystal X-ray study; T = 273 K; WR factor = 0.113;
D O I
10.1107/S1600536809055834
中图分类号
O7 [晶体学];
学科分类号
0702 ; 070205 ; 0703 ; 080501 ;
摘要
The molecule of the title compound, C(22)H(18)N(4)O(2)S(2), lies across a crystallographic inversion centre. The central benzene ring forms dihedral angles of 29.39 (9) and 79.11 (12)degrees, respectively, with the thiourea unit and the terminal phenyl ring. Intramolecular N-H center dot center dot center dot O hydrogen bonds generate two S( 6) ring motifs. In the crystal, molecules are linked into chains along [1 (1) over bar0] by intermolecular N-H center dot center dot center dot S hydrogen bonds.
引用
收藏
页码:O314 / U2006
页数:8
相关论文
共 7 条
[1]   TABLES OF BOND LENGTHS DETERMINED BY X-RAY AND NEUTRON-DIFFRACTION .1. BOND LENGTHS IN ORGANIC-COMPOUNDS [J].
ALLEN, FH ;
KENNARD, O ;
WATSON, DG ;
BRAMMER, L ;
ORPEN, AG ;
TAYLOR, R .
JOURNAL OF THE CHEMICAL SOCIETY-PERKIN TRANSACTIONS 2, 1987, (12) :S1-S19
[2]  
Bruker, 2000, SMART SAINT SADABS
[3]   N-benzoyl-N′-(3-pyridyl)thiourea [J].
Dong, Wen-Kui ;
Yang, Xiao-Qing ;
Feng, Jian-Hua .
ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS, 2006, 62 :O3459-O3460
[4]   Ethyl 2-(3-benzoylthioureido)acetate [J].
Hassan, Ibrahim N. ;
Yamin, Bohari M. ;
Kassim, Mohammad B. .
ACTA CRYSTALLOGRAPHICA SECTION E-STRUCTURE REPORTS ONLINE, 2008, 64 :O1727-U1653
[5]   A short history of SHELX [J].
Sheldrick, George M. .
ACTA CRYSTALLOGRAPHICA A-FOUNDATION AND ADVANCES, 2008, 64 :112-122
[6]   Structure validation in chemical crystallography [J].
Spek, Anthony L. .
ACTA CRYSTALLOGRAPHICA SECTION D-STRUCTURAL BIOLOGY, 2009, 65 :148-155
[7]   1-(2-Morpholinoethyl)-3-(3-phenylacryloyl)thiourea [J].
Yamin, BM ;
Hassan, IN .
ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS, 2004, 60 :O2513-O2514