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(-)-N,N'-Bis[(1S,2R,5S)-6,6-dimethyl-bicyclo-[3.1.1]heptan-2-ylmeth-yl]pyridine-2,6-dicarboxamide monohydrate.


ABSTRACT: The title compound, C(27)H(39)N(3)O(2)·H(2)O, is a chiral pyridine-2,6-dicarboxamide derivative including cis-myrtanyl groups as amine substituents. The pyridine-2,6-dicarboxamide core approximates C(2) point symmetry and a solvent water mol-ecule lies on the pseudo-twofold axis. The water mol-ecule serves both as acceptor and donor for efficient hydrogen bonds involving N-H and C=O functional groups as donor and acceptor groups, respectively. As a result, each water mol-ecule in the crystal structure is tetra-hedrally bonded to three symmetry-related mol-ecules, forming a three-dimensional supra-molecular network. Such an arrangement is a common feature found in the majority of X-ray-characterized sym-metrically substituted pyridine-2,6-dicarboxamide derivatives.

SUBMITTER: Bernes S 

PROVIDER: S-EPMC2961349 | biostudies-literature | 2008 May

REPOSITORIES: biostudies-literature

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(-)-N,N'-Bis[(1S,2R,5S)-6,6-dimethyl-bicyclo-[3.1.1]heptan-2-ylmeth-yl]pyridine-2,6-dicarboxamide monohydrate.

Bernès Sylvain S   Pérez-Flores Francisco Javier FJ   Gutiérrez René R  

Acta crystallographica. Section E, Structure reports online 20080514 Pt 6


The title compound, C(27)H(39)N(3)O(2)·H(2)O, is a chiral pyridine-2,6-dicarboxamide derivative including cis-myrtanyl groups as amine substituents. The pyridine-2,6-dicarboxamide core approximates C(2) point symmetry and a solvent water mol-ecule lies on the pseudo-twofold axis. The water mol-ecule serves both as acceptor and donor for efficient hydrogen bonds involving N-H and C=O functional groups as donor and acceptor groups, respectively. As a result, each water mol-ecule in the crystal str  ...[more]

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