3-Acetyl-1-phenylthiourea

被引:5
作者
Shahwar, Durre [2 ]
Tahir, M. Nawaz [1 ]
Chohan, Muhammad Mansha [2 ]
Ahmad, Naeem [2 ]
Samiullah [2 ]
机构
[1] Univ Sargodha, Dept Phys, Sargodha, Pakistan
[2] Govt Coll Univ, Dept Chem, Lahore, Pakistan
来源
ACTA CRYSTALLOGRAPHICA SECTION E-STRUCTURE REPORTS ONLINE | 2012年 / 68卷
关键词
data-to-parameter ratio = 20.5; mean σ(C-C) = 0.003 Å; R factor = 0.045; single-crystal X-ray study; T = 296 K; wR factor = 0.129;
D O I
10.1107/S1600536812002371
中图分类号
O7 [晶体学];
学科分类号
0702 ; 070205 ; 0703 ; 080501 ;
摘要
In the crystal structure of title compound, C9H10N2OS, there are two symmetry-independent molecules, each having an intramolecular N-H center dot center dot center dot O hydrogen bond generating an S(6) ring motif. The benzene rings and the virtually planar acetylthoiurea fragments [r.m.s. deviations = 0.0045 and 0.0341 angstrom] are oriented at dihedral angles of 50.71 (6) and 62.79 (6)degrees in the two molecules. In the crystal, N-H center dot center dot center dot S and N-H center dot center dot center dot O hydrogen bonds link molecules via cyclic R-2(2)(8) and R-2(2)(12) motifs into a one-dimensional polymeric network extending along [ 101]. The intra-and intermolecular N-H center dot center dot center dot O interactions are part of a three-center hydrogen bond. A-C-H center dot center dot center dot S interaction also occurs.
引用
收藏
页码:O508 / U1600
页数:10
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