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Ethyl 3,6-dihy-droxy-6-methyl-4-phenyl-4,5,6,7-tetra-hydro-1H-indazole-5-carboxyl-ate monohydrate.

ABSTRACT: In the title compound, C(17)H(20)N(2)O(4)·H(2)O, the cyclo-hexene ring adopts a half-chair conformation while the indazole ring is essentially planar [maximum deviation = 0.0192?(12)?Å]. In the crystal, pairs of inter-molecular O-H?N hydrogen bonds link the mol-ecules into dimers lying about inversion centers and intra-molecular O-H?O hydrogen bonds result in six-membered rings. The dimers are further connected by N-H?O and O-H?O hydrogen bonds.

SUBMITTER: Maharramov AM

PROVIDER: S-EPMC3051703 | biostudies-literature | 2011 Jan

REPOSITORIES: biostudies-literature

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Ethyl 3,6-dihy-droxy-6-methyl-4-phenyl-4,5,6,7-tetra-hydro-1H-indazole-5-carboxyl-ate monohydrate.

Maharramov Abel M AM Ismiyev Arif I AI Rashidov Bahruz A BA

Acta crystallographica. Section E, Structure reports online 20110122 Pt 2

In the title compound, C(17)H(20)N(2)O(4)·H(2)O, the cyclo-hexene ring adopts a half-chair conformation while the indazole ring is essentially planar [maximum deviation = 0.0192 (12) Å]. In the crystal, pairs of inter-molecular O-H⋯N hydrogen bonds link the mol-ecules into dimers lying about inversion centers and intra-molecular O-H⋯O hydrogen bonds result in six-membered rings. The dimers are further connected by N-H⋯O and O-H⋯O hydrogen bonds. ...[more]

PMID: 21523137

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