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Bis(2-methyl-imidazolium) fumarate dihydrate.

ABSTRACT: In the title compound, 2C(4)H(7)N(2) (+)·C(4)H(2)O(4) (2-)·2H(2)O, the asymmetric unit consists of one 2-methyl-imidazolium cation, half a fumarate dianion and one water mol-ecule. There is an inversion center at the mid-point of the central C-C bond of the fumarate anion. In the crystal structure, mol-ecules are linked into a three-dimensional network by inter-molecular N-H?O, O-H?O and weak C-H?O hydrogen bonds. In addition, there are weak ?-? stacking inter-actions with centroid-centroid distances of 3.640?(1)?Å.

SUBMITTER: Xie Z

PROVIDER: S-EPMC2971242 | biostudies-literature | 2009 Oct

REPOSITORIES: biostudies-literature

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Bis(2-methyl-imidazolium) fumarate dihydrate.

Xie Zhiyuan Z

Acta crystallographica. Section E, Structure reports online 20091003 Pt 11

In the title compound, 2C(4)H(7)N(2) (+)·C(4)H(2)O(4) (2-)·2H(2)O, the asymmetric unit consists of one 2-methyl-imidazolium cation, half a fumarate dianion and one water mol-ecule. There is an inversion center at the mid-point of the central C-C bond of the fumarate anion. In the crystal structure, mol-ecules are linked into a three-dimensional network by inter-molecular N-H⋯O, O-H⋯O and weak C-H⋯O hydrogen bonds. In addition, there are weak π-π stacking inter-actions with centroid-centroid dist ...[more]

PMID: 21578248

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