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4-(Methyl-amino)benzoic acid.

ABSTRACT: The asymmetric unit of the title compound, C(8)H(9)NO(2), contains three crystallographically independent mol-ecules, which are essentially planar, the carboxyl O atoms deviating by 0.091?(3), 0.101?(2) and 0.164?(3)?Å from the mean plane through the non-H atoms. In the crystal, all three mol-ecules form O-H?O hydrogen-bonded about inversion centers, forming eight-membered rings with graph-set notation R(2) (2)(8). In addition, N-H?O hydrogen bonding and C-H?? inter-actions reinforce the packing.

SUBMITTER: Celik I

PROVIDER: S-EPMC2970238 | biostudies-literature | 2009 Sep

REPOSITORIES: biostudies-literature

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4-(Methyl-amino)benzoic acid.

Celik Ismail I Akkurt Mehmet M Necefoğlu Hacali H Aybirdi Ozgür O García-Granda Santiago S

Acta crystallographica. Section E, Structure reports online 20090930 Pt 10

The asymmetric unit of the title compound, C(8)H(9)NO(2), contains three crystallographically independent mol-ecules, which are essentially planar, the carboxyl O atoms deviating by 0.091 (3), 0.101 (2) and 0.164 (3) Å from the mean plane through the non-H atoms. In the crystal, all three mol-ecules form O-H⋯O hydrogen-bonded about inversion centers, forming eight-membered rings with graph-set notation R(2) (2)(8). In addition, N-H⋯O hydrogen bonding and C-H⋯π inter-actions reinforce the packing ...[more]

PMID: 21578011

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