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Bis(guanidinium) 4,5-dichloro-phthalate monohydrate.

ABSTRACT: In the structure of the title hydrated salt, 2CH(6)N(3) (+)·C(8)H(2)Cl(2)O(4) (2-)·H(2)O, the planes of the carboxyl-ate groups of the dianion are rotated out of the plane of the benzene ring [dihedral angles = 48.42?(10) and 55.64?(9)°]. A duplex-sheet structure is formed through guanidinium-carboxyl-ate N-H?O, guanidinium-water N-H?O and water-carboxyl-ate O-H?O hydrogen-bonding associations.

SUBMITTER: Smith G

PROVIDER: S-EPMC3152114 | biostudies-literature | 2011 Jul

REPOSITORIES: biostudies-literature

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Bis(guanidinium) 4,5-dichloro-phthalate monohydrate.

Smith Graham G Wermuth Urs D UD

Acta crystallographica. Section E, Structure reports online 20110611 Pt 7

In the structure of the title hydrated salt, 2CH(6)N(3) (+)·C(8)H(2)Cl(2)O(4) (2-)·H(2)O, the planes of the carboxyl-ate groups of the dianion are rotated out of the plane of the benzene ring [dihedral angles = 48.42 (10) and 55.64 (9)°]. A duplex-sheet structure is formed through guanidinium-carboxyl-ate N-H⋯O, guanidinium-water N-H⋯O and water-carboxyl-ate O-H⋯O hydrogen-bonding associations. ...[more]

PMID: 21837049

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