rac-1-[6-Hydroxy-4-(4-methoxyphenyl)3,6-dimethyl-4,5,6,7-tetrahydro-2H-indazol-5-yl]ethanone

被引：1

作者：

Potekhin, Konstantin A. ^{[1
]}

Askerov, Rizvan K. ^{[2
]}

Hajiyeva, Kushvar E. ^{[2
]}

Gadirova, Narmina A. ^{[2
]}

Nazarov, Shahkaram I. ^{[2
]}

机构：

[1] Vladimir State Univ, Vladimir 600000, Russia

[2] Baku State Univ, Z Khalilov St 23, AZ-1148 Baku, Azerbaijan

来源：

ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS | 2013年 / 69卷

关键词：

data-to-parameter ratio = 18.2; mean σ(C-C) = 0.003 Å; R factor = 0.057; single-crystal X-ray study; T = 296 K; wR factor = 0.151;

D O I：

10.1107/S1600536813000937

中图分类号：

O7 [晶体学];

学科分类号：

0702 ; 070205 ; 0703 ; 080501 ;

摘要：

The title compound, C18H22N2O3, represents a (4S,5R,6S)stereoisomer, crystallizing as a racemate in a centrosymmetric space group. The six-membered aliphatic ring adopts a half-chair conformation, with the hydroxy- and acetyl-substituted C atoms deviating by 0.458 (2) and -0.366 (2) angstrom, respectively, from the plane defined by other four ring atoms. The pyrazole ring is essentially planar [r.m.s deviation = 0.004 (2) angstrom]. In the crystal, the molecules are linked into chains along the b axis by N-H center dot center dot center dot N hydrogen bonds. The chains are linked by O-H center dot center dot center dot N hydrogen bonds into layers parallel to the bc plane.

引用

页码：O243 / +

页数：9

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