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Rac-1-[6-Hy-droxy-4-(4-meth-oxy-phen-yl)-3,6-dimethyl-4,5,6,7-tetra-hydro-2H-indazol-5-yl]ethanone.

ABSTRACT: The title compound, C(18)H(22)N(2)O(3), 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 hy-droxy- and acetyl-substituted C atoms deviating by 0.458?(2) and -0.366?(2)?Å, respectively, from the plane defined by other four ring atoms. The pyrazole ring is essentially planar [r.m.s deviation = 0.004?(2)?Å]. In the crystal, the mol-ecules are linked into chains along the b axis by N-H?N hydrogen bonds. The chains are linked by O-H?N hydrogen bonds into layers parallel to the bc plane.

SUBMITTER: Potekhin KA 

PROVIDER: S-EPMC3569776 | biostudies-literature | 2013 Feb

REPOSITORIES: biostudies-literature

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rac-1-[6-Hy-droxy-4-(4-meth-oxy-phen-yl)-3,6-dimethyl-4,5,6,7-tetra-hydro-2H-indazol-5-yl]ethanone.

Potekhin Konstantin A KA   Askerov Rizvan K RK   Hajiyeva Kushvar E KE   Gadirova Narmina A NA   Nazarov Shahkaram I SI  

Acta crystallographica. Section E, Structure reports online 20130116 Pt 2

The title compound, C(18)H(22)N(2)O(3), 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 hy-droxy- and acetyl-substituted C atoms deviating by 0.458 (2) and -0.366 (2) Å, respectively, from the plane defined by other four ring atoms. The pyrazole ring is essentially planar [r.m.s deviation = 0.004 (2) Å]. In the crystal, the mol-ecules are linked into chains along the b a  ...[more]

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