首页> 美国卫生研究院文献>Acta Crystallographica Section E: Crystallographic Communications >(−)-N,N′-Bis[(1S,2R,5S)-6,6-dimethyl-bicyclo­[3.1.1]heptan-2-ylmeth­yl]pyridine-2,6-dicarboxamide monohydrate
【2h】

(−)-N,N′-Bis[(1S,2R,5S)-6,6-dimethyl-bicyclo­[3.1.1]heptan-2-ylmeth­yl]pyridine-2,6-dicarboxamide monohydrate

机译:(-)-N,N'-Bis [(1S,2R,5S)-6,6-二甲基-双环­ [3.1.1]庚基-2-基甲基­基]吡啶-2,6-二甲酰胺一水合物

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摘要

The title compound, C27H39N3O2·H2O, 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 mol­ecule lies on the pseudo-twofold axis. The water mol­ecule 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 mol­ecule in the crystal structure is tetra­hedrally bonded to three symmetry-related mol­ecules, forming a three-dimensional supra­molecular network. Such an arrangement is a common feature found in the majority of X-ray-characterized sym­metrically substituted pyridine-2,6-dicarboxamide derivatives.
机译:标题化合物C27H39N3O2·H2O是手性吡啶-2,6-二甲酰胺衍生物,包括顺式-扁桃烷基作为胺取代基。 2,6-吡啶二吡啶吡啶核近似于C 2点对称,并且溶剂水分子位于假双重轴上。水分子既充当有效的氢键的受主,又充当供体,其中涉及NH和C = O官能团,分别作为供体和受主。结果,晶体结构中的每个水分子与三个与对称相关的分子四面体键合,形成三维超分子网络。这种排列是大多数X射线表征的对称取代的吡啶2,6-二甲酰胺衍生物的共同特征。

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