Hussain Abid, Shafiq Zahid, Tahir M Nawaz, Yaqub Muhammad
Acta Crystallogr Sect E Struct Rep Online. 2010 Jun 30;66(Pt 7):o1880. doi: 10.1107/S1600536810025213.
In the title compound, C(14)H(12)ClN(3)O(2)·H(2)O, the benzene ring and the pyridine rings are oriented at a dihedral angle of 57.73 (12)° and an intra-molecular O-H⋯N hydrogen bond generates an S(6) ring. In the crystal, the water mol-ecule forms O-H⋯O and O-H⋯N hydrogen bonds to the organic mol-ecule, leading to chains containing R(4) (4)(16) loops. In addition, weak aromatic π-π stacking inter-actions between the centroids of pyridine rings [at distance of 3.864 (2) and 4.013 (2) Å] and C-H⋯π inter-actions occur.
在标题化合物C₁₄H₁₂ClN₃O₂·H₂O中,苯环和吡啶环的二面角为57.73 (12)°,分子内O—H⋯N氢键形成一个S(6)环。在晶体中,水分子与有机分子形成O—H⋯O和O—H⋯N氢键,导致形成含有R(4) (4)(16)环的链。此外,吡啶环质心之间存在弱的芳香π - π堆积相互作用[距离为3.864 (2)和4.013 (2) Å]以及C—H⋯π相互作用。