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Guanidinium 4-amino-benzoate.

ABSTRACT: In the title compound, CH(6)N(3) (+)·C(7)H(6)NO(2) (-), the cation and anion lie on crystallographic mirror planes. The 4-amino-benzoate anion is almost in a planar conformation with a maximum deviation of 0.024?(2)?Å for the N atom. The bond length in the deprotonated carboxyl group is inter-mediate between those of normal single and double Csp(2)=O bonds, indicating delocalization of the charge over both O atoms of the COO(-) group. In the crystal, N-H?O hydrogen bonds assemble the ions in layers propagating in the bc plane. This structure is very similar to that of guanidinium benzoate.

SUBMITTER: Pereira Silva PS

PROVIDER: S-EPMC2983752 | biostudies-literature | 2010 Feb

REPOSITORIES: biostudies-literature

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Guanidinium 4-amino-benzoate.

Pereira Silva P S PS Ramos Silva M M Paixão J A JA Matos Beja A A

Acta crystallographica. Section E, Structure reports online 20100206 Pt 3

In the title compound, CH(6)N(3) (+)·C(7)H(6)NO(2) (-), the cation and anion lie on crystallographic mirror planes. The 4-amino-benzoate anion is almost in a planar conformation with a maximum deviation of 0.024 (2) Å for the N atom. The bond length in the deprotonated carboxyl group is inter-mediate between those of normal single and double Csp(2)=O bonds, indicating delocalization of the charge over both O atoms of the COO(-) group. In the crystal, N-H⋯O hydrogen bonds assemble the ions in lay ...[more]

PMID: 21580297

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