N′-[(E)-(3-Phenyl-1H-pyrazol-4-yl)methylidene]naphtho[2,1-b]furan-2-carbohydrazide monohydrate

被引:0
作者
Fun, Hoong-Kun [1 ]
Loh, Wan-Sin [1 ]
Malladi, Shridhar [2 ]
Ganesh, B. M. [2 ]
Isloor, Arun M. [2 ]
机构
[1] Univ Sains Malaysia, Sch Phys, Xray Crystallog Unit, Usm 11800, Penang, Malaysia
[2] Natl Inst Technol Karnataka, Dept Chem, Div Med Chem, Mangalore 575025, India
来源
ACTA CRYSTALLOGRAPHICA SECTION E-STRUCTURE REPORTS ONLINE | 2011年 / 67卷
关键词
data-to-parameter ratio = 19.8; mean σ(C-C) = 0.002 Å; R factor = 0.051; single-crystal X-ray study; T = 100 K; wR factor = 0.129;
D O I
10.1107/S1600536811050239
中图分类号
O7 [晶体学];
学科分类号
0702 ; 070205 ; 0703 ; 080501 ;
摘要
In the title hydrate, C23H16N4O2 center dot H2O, the pyrazole ring is approximately planar, with a maximum deviation of 0.023 (1) angstrom, and makes dihedral angles of 28.63 (6) and 46.44 (7)degrees with the naphtho[2,1-b] furan ring system and the benzene ring, respectively, In the crystal, O-H center dot center dot center dot N, O-H center dot center dot center dot O, N-H center dot center dot center dot O, N-H center dot center dot center dot N, C-H center dot center dot center dot O and C-H center dot center dot center dot N hydrogen bonds link the molecules, forming sheets lying parallel to the ab plane. The crystal structure also features C-H center dot center dot center dot pi interactions involving the centroids of the pyrazole and benzene rings.
引用
收藏
页码:O3471 / U412
页数:12
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