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Crystal structure of 4-acetamido-benzoic acid monohydrate.

ABSTRACT: In the title compound, C9H9NO3·H2O, the plane of the acetamide group is oriented at 20.52?(8)° with respect to the benzene ring, whereas the plane of the carb-oxy-lic acid group is essentially coplanar with the benzene ring [maximum deviation = 0.033?(1)?Å]. In the crystal, classical O-H?O and N-H?O hydrogen bonds and weak C-H?O hydrogen bonds link the organic mol-ecules and water mol-ecules of crystallization into a three-dimensional supra-molecular architecture.

SUBMITTER: Cai WJ

PROVIDER: S-EPMC4257246 | biostudies-other | 2014 Nov

REPOSITORIES: biostudies-other

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Crystal structure of 4-acetamido-benzoic acid monohydrate.

Cai Wen-Juan WJ Chi Shao-Ming SM Kou Jun-Feng JF Liu Feng-Yi FY

Acta crystallographica. Section E, Structure reports online 20141011 Pt 11

In the title compound, C9H9NO3·H2O, the plane of the acetamide group is oriented at 20.52 (8)° with respect to the benzene ring, whereas the plane of the carb-oxy-lic acid group is essentially coplanar with the benzene ring [maximum deviation = 0.033 (1) Å]. In the crystal, classical O-H⋯O and N-H⋯O hydrogen bonds and weak C-H⋯O hydrogen bonds link the organic mol-ecules and water mol-ecules of crystallization into a three-dimensional supra-molecular architecture. ...[more]

PMID: 25484798

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