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(1R*,2S*)-N,N'-Bis[(E)-1H-pyrrol-2-yl-methyl-idene]cyclo-hexane-1,2-diamine monohydrate.

ABSTRACT: The title compound, C16H20N4·H2O, was synthesized from cis-1,2-diamino-cyclo-hexane (a racemic mixture of the (1R,2S) and (1S,2R) enanti-omers). The compound crystallized with two mol-ecules (A and B) in the asymmetric unit with a single water solvent mol-ecule per Schiff base mol-ecule. Mol-ecules A and B have similar conformations as illustrated by the least-squares-fit with an r.m.s. deviation of 0.242 Å. The mol-ecules within the asymmetric unit are bridged by hydrogen bonds to the two water mol-ecules, resulting in a heterotetramer. The water mol-ecule acts as both a hydrogen-bond donor and acceptor. The pyrrole-imine units are not co-planar, making an angle of 73.9 (3)° and 76.9 (3)° in mol-ecules A and B, respectively.

SUBMITTER: Akerman KJ 

PROVIDER: S-EPMC3588954 | biostudies-literature | 2012 Dec

REPOSITORIES: biostudies-literature

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(1R*,2S*)-N,N'-Bis[(E)-1H-pyrrol-2-yl-methyl-idene]cyclo-hexane-1,2-diamine monohydrate.

Akerman Kate J KJ  

Acta crystallographica. Section E, Structure reports online 20121117 Pt 12

The title compound, C16H20N4·H2O, was synthesized from cis-1,2-diamino-cyclo-hexane (a racemic mixture of the (1R,2S) and (1S,2R) enanti-omers). The compound crystallized with two mol-ecules (A and B) in the asymmetric unit with a single water solvent mol-ecule per Schiff base mol-ecule. Mol-ecules A and B have similar conformations as illustrated by the least-squares-fit with an r.m.s. deviation of 0.242 Å. The mol-ecules within the asymmetric unit are bridged by hydrogen bonds to the two water  ...[more]

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