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Rac-7-Oxabicyclo-[2.2.1]heptane-2,3-dicarboxylic acid-2-amino-1,3,4-thia-diazole-water (1/1/1).

ABSTRACT: The title compound, C(8)H(10)O(5)·C(2)H(3)N(3)S·H(2)O, was synthesized by the reaction of 2-amino-1,3,4-thia-diazole with norcantharidin. The crystal structure is stabilized by N-H?O, N-H?N, O-H?O and O-H?N hydrogen bonds. In addition, weak ?-? inter-actions are observed between symmetry-related thia-diazole ring systems [centroid-centroid distance = 3.9110?(3)?Å, inter-planar spacing = 3.4845?Å].

SUBMITTER: Wang N

PROVIDER: S-EPMC2969213 | biostudies-literature | 2009 Jun

REPOSITORIES: biostudies-literature

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rac-7-Oxabicyclo-[2.2.1]heptane-2,3-dicarboxylic acid-2-amino-1,3,4-thia-diazole-water (1/1/1).

Wang Na N Lin Qiu-Yue QY Wang Yan-Jun YJ

Acta crystallographica. Section E, Structure reports online 20090617 Pt 7

The title compound, C(8)H(10)O(5)·C(2)H(3)N(3)S·H(2)O, was synthesized by the reaction of 2-amino-1,3,4-thia-diazole with norcantharidin. The crystal structure is stabilized by N-H⋯O, N-H⋯N, O-H⋯O and O-H⋯N hydrogen bonds. In addition, weak π-π inter-actions are observed between symmetry-related thia-diazole ring systems [centroid-centroid distance = 3.9110 (3) Å, inter-planar spacing = 3.4845 Å]. ...[more]

PMID: 21582865

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