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Ethyl 1-tert-butyl-5-phenyl-1H-pyrazole-4-carboxyl-ate.

ABSTRACT: In the title compound, C(16)H(20)N(2)O(2), the pyrazole ring is essentially planar [maximum deviation = 0.008 (2) Å] and is inclined at an angle of 82.82 (10)° with respect to the phenyl ring. The crystal packing is consolidated by pairs of inter-molecular C-H⋯O hydrogen bonds, which link the mol-ecules into centrosymmetric dimers stacked along the a axis.

SUBMITTER: Fun HK

PROVIDER: S-EPMC3007952 | biostudies-literature | 2010 Aug

REPOSITORIES: biostudies-literature

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Ethyl 1-tert-butyl-5-phenyl-1H-pyrazole-4-carboxyl-ate.

Fun Hoong-Kun HK Quah Ching Kheng CK Chandrakantha B B Isloor Arun M AM Shetty Prakash P

Acta crystallographica. Section E, Structure reports online 20100811 Pt 9

In the title compound, C(16)H(20)N(2)O(2), the pyrazole ring is essentially planar [maximum deviation = 0.008 (2) Å] and is inclined at an angle of 82.82 (10)° with respect to the phenyl ring. The crystal packing is consolidated by pairs of inter-molecular C-H⋯O hydrogen bonds, which link the mol-ecules into centrosymmetric dimers stacked along the a axis. ...[more]

PMID: 21588598

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