3-Isobutyl-4-phenylsulfanyl-1H-pyrazol-5-ol

被引:0
|
作者
Shahani, Tara [1 ]
Fun, Hoong-Kun [1 ]
Ragavan, R. Venkat [2 ]
Vijayakumar, V. [2 ]
Sarveswari, S. [2 ]
机构
[1] Univ Sains Malaysia, Sch Phys, Xray Crystallog Unit, Usm 11800, Penang, Malaysia
[2] VIT Univ, Sch Adv Sci, Div Organ Chem, Vellore 632014, Tamil Nadu, India
来源
ACTA CRYSTALLOGRAPHICA SECTION E-STRUCTURE REPORTS ONLINE | 2011年 / 67卷
关键词
X-RAY; DIFFRACTION;
D O I
10.1107/S1600536811002170
中图分类号
O7 [晶体学];
学科分类号
0702 ; 070205 ; 0703 ; 080501 ;
摘要
The asymmetric unit of the title compound, C13H16N2OS, contains two independent molecules (A and B). The pyrazole ring [maximum deviations = 0.0049 (17) angstrom in molecule A and 0.0112 (19) angstrom in molecule B] makes a dihedral angle of 70.23 (11) and 73.18 (12)degrees with the phenyl ring in molecules A and B, respectively. The isobutyl group in molecule B is disordered over two sets of sites with a ratio of refined occupancies of 0.858 (5): 0.142 (5). In the crystal, molecules A and B are linked via a pair of intermolecular N-H center dot center dot center dot O hydrogen bonds, generating an R-2(2)(8) ring motif. These ring motifs are further linked into two-dimensional arrays parallel to the bc plane by intermolecular N-H center dot center dot center dot O and weak C-H center dot center dot center dot S hydrogen bonds. The crystal is further stablized by weak pi-pi interactions [centroid-centroid distances = 3.5698 (13) and 3.5287 (12) angstrom].
引用
收藏
页码:O463 / U1486
页数:14
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