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Dimethyl 4-[3-(4-meth-oxy-phen-yl)-1-phenyl-1H-pyrazol-4-yl]-2,6-dimethyl-1,4-dihydro-pyridine-3,5-dicarboxyl-ate dihydrate.

ABSTRACT: In the title compound, C(27)H(27)N(3)O(5)·2H(2)O, the dihydro-pyridine ring adopts a flattened boat conformation. The central pyrazole ring is essentially planar [maximum deviation of 0.003?(1)?Å] and makes dihedral angles of 50.42?(6) and 26.44?(6)° with the benzene rings. In the crystal, mol-ecules are linked via N-H?O, O-H?O, O-H?N and C-H?O hydrogen bonds into two-dimensional networks parallel to the bc plane. The crystal structure is further consolidated by weak C-H?? inter-actions.

SUBMITTER: Fun HK 

PROVIDER: S-EPMC3394006 | biostudies-literature | 2012 Jul

REPOSITORIES: biostudies-literature

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Dimethyl 4-[3-(4-meth-oxy-phen-yl)-1-phenyl-1H-pyrazol-4-yl]-2,6-dimethyl-1,4-dihydro-pyridine-3,5-dicarboxyl-ate dihydrate.

Fun Hoong-Kun HK   Ooi Chin Wei CW   Garudachari B B   Shivananda Kammasandra Nanjunda KN   Isloor Arun M AM  

Acta crystallographica. Section E, Structure reports online 20120627 Pt 7

In the title compound, C(27)H(27)N(3)O(5)·2H(2)O, the dihydro-pyridine ring adopts a flattened boat conformation. The central pyrazole ring is essentially planar [maximum deviation of 0.003 (1) Å] and makes dihedral angles of 50.42 (6) and 26.44 (6)° with the benzene rings. In the crystal, mol-ecules are linked via N-H⋯O, O-H⋯O, O-H⋯N and C-H⋯O hydrogen bonds into two-dimensional networks parallel to the bc plane. The crystal structure is further consolidated by weak C-H⋯π inter-actions. ...[more]

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