N-(3-Chloropropionyl)-N′-phenylthiourea

被引:8
作者
Othman, Eliyanti A. [1 ]
Soh, Siti K. C. [1 ]
Yamin, Bohari M. [1 ]
机构
[1] Univ Kebangsaan Malaysia, Sch Chem Sci & Food Technol, Bangi 43500, Selangor, Malaysia
来源
ACTA CRYSTALLOGRAPHICA SECTION E-STRUCTURE REPORTS ONLINE | 2010年 / 66卷
关键词
GRAPH-SET ANALYSIS; CRYSTALS; PATTERNS;
D O I
10.1107/S1600536810005271
中图分类号
O7 [晶体学];
学科分类号
0702 ; 070205 ; 0703 ; 080501 ;
摘要
The title compound, C10H11ClN2OS, adopts a cis-trans configuration with respect to the position of the phenyl and 3-chloropropionyl groups relative to the thiono group across the C-N bonds. The benzene ring is perpendicular to the propionyl thiourea fragment with a dihedral angle of 82.62 (10)degrees. An intramolecular N-H center dot center dot center dot O interaction occurs. The crystal structure is stabilized by intermolecular N-H center dot center dot center dot S hydrogen bonds, which link pairs of molecules, building up R-2(2)(8) ring motifs, and C-H center dot center dot center dot pi interactions.
引用
收藏
页码:O628 / U5121
页数:9
相关论文
共 9 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]  
[Anonymous], 1995, J Appl Crystallogr, DOI [10.1107/S0021889895007138, DOI 10.1107/S0021889895007138]
[3]   PATTERNS IN HYDROGEN BONDING - FUNCTIONALITY AND GRAPH SET ANALYSIS IN CRYSTALS [J].
BERNSTEIN, J ;
DAVIS, RE ;
SHIMONI, L ;
CHANG, NL .
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, 1995, 34 (15) :1555-1573
[4]  
Bruker, 2000, SAINT and SADABS
[5]   GRAPH-SET ANALYSIS OF HYDROGEN-BOND PATTERNS IN ORGANIC-CRYSTALS [J].
ETTER, MC ;
MACDONALD, JC ;
BERNSTEIN, J .
ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE CRYSTAL ENGINEERING AND MATERIALS, 1990, 46 :256-262
[6]  
ISMAIL N, 2009, XRAY STRUCT ANAL ONL, V25, P39
[7]   A new triclinic polymorph of 4,5,6-trimethyl-phenyl-3,4-dihydropyrimidine-2(1H)-thione [J].
Ismail, Nur Liyana ;
Othman, Eliyanti ;
Yamin, Bohari M. .
ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS, 2007, 63 :O2442-O2443
[8]   A short history of SHELX [J].
Sheldrick, George M. .
ACTA CRYSTALLOGRAPHICA A-FOUNDATION AND ADVANCES, 2008, 64 :112-122
[9]   Structure validation in chemical crystallography [J].
Spek, Anthony L. .
ACTA CRYSTALLOGRAPHICA SECTION D-STRUCTURAL BIOLOGY, 2009, 65 :148-155