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5-Amino-1-phenyl-1H-pyrazole-4-carboxylic acid.

ABSTRACT: In the mol-ecule of the title compound, C(10)H(9)N(3)O(2), the pyrazole ring is approximately coplanar with the amino and carboxyl groups. The phenyl group is twisted by 48.13?(3)° relative to this plane. An intra-molecular N-H?O hydrogen bond stabilizes the planar conformation of the mol-ecule. The mol-ecules are linked into two-dimensional sheets by two strong inter-molecular N-H?N and O-H?O hydrogen bonds. The latter forms the classic carboxylic acid dimer motif.

SUBMITTER: Zia-Ur-Rehman M

PROVIDER: S-EPMC2961688 | biostudies-literature | 2008 Jun

REPOSITORIES: biostudies-literature

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5-Amino-1-phenyl-1H-pyrazole-4-carboxylic acid.

Zia-Ur-Rehman Muhammad M Elsegood Mark R J MR Akbar Nosheen N Shah Zaib Saleem Rahman R

Acta crystallographica. Section E, Structure reports online 20080621 Pt 7

In the mol-ecule of the title compound, C(10)H(9)N(3)O(2), the pyrazole ring is approximately coplanar with the amino and carboxyl groups. The phenyl group is twisted by 48.13 (3)° relative to this plane. An intra-molecular N-H⋯O hydrogen bond stabilizes the planar conformation of the mol-ecule. The mol-ecules are linked into two-dimensional sheets by two strong inter-molecular N-H⋯N and O-H⋯O hydrogen bonds. The latter forms the classic carboxylic acid dimer motif. ...[more]

PMID: 21202940

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