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Ethyl 4-(3-chloro-phen-yl)-3,6-dihydr-oxy-6-methyl-2-(2-pyrid-yl)-4,5,6,7-tetra-hydro-indazole-5-carboxyl-ate.

ABSTRACT: In the title compound, C(22)H(22)ClN(3)O(4), the cyclo-hexane ring adopts a twisted half-chair conformation. The mol-ecule is stabilized by an intra-molecular O-H⋯N inter-action, generating an S(6) motif. The crystal packing is stabilized by inter-molecular O-H⋯N and C-H⋯O inter-actions.

SUBMITTER: Amirthaganesan S

PROVIDER: S-EPMC2983935 | biostudies-literature |

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.

Project description: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.

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| S-EPMC2971811 | biostudies-other

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