4-[(Z)-(2-乙氧基-4-氧代苯并二氢吡喃-3-亚基)甲基氨基]苯磺酰胺一水合物
4-[(Z)-(2-Eth-oxy-4-oxochroman-3-yl-idene)methyl-amino]benzene-sulfonamide monohydrate.
作者信息
Tahir M Nawaz, Nagra Saeed Ahmad, Imran Muhammed, Iqbal Javed
出版信息
Acta Crystallogr Sect E Struct Rep Online. 2009 Jul 11;65(Pt 8):o1818-9. doi: 10.1107/S1600536809026154.
In the mol-ecule of the title compound, C(18)H(18)N(2)O(5)S·H(2)O, the heterocyclic ring adopts a twisted conformation, while the aromatic rings are oriented at a dihedral angle of 45.46 (3)°. Intra-molecular C-H⋯O and N-H⋯O inter-actions result in the formations of planar five- and six-membered rings. In the crystal structure, N-H⋯O hydrogen bonds link the NH(2) and SO(2) groups through R(2) (2)(8) ring motifs, while C-H⋯O and N-H⋯O hydrogen bonds result in the formation of R(2) (1)(7) ring motifs. N-H⋯O and O-H⋯O hydrogen bonds link the uncoordinated water mol-ecules, forming a polymeric network. A weak C-H⋯π inter-action is also present.
在标题化合物C(18)H(18)N(2)O(5)S·H(2)O的分子中，杂环呈扭曲构象，而芳环以45.46 (3)°的二面角取向。分子内的C-H⋯O和N-H⋯O相互作用导致形成平面五元环和六元环。在晶体结构中，N-H⋯O氢键通过R(2) (2)(8)环模式连接NH(2)和SO(2)基团，而C-H⋯O和N-H⋯O氢键导致形成R(2) (1)(7)环模式。N-H⋯O和O-H⋯O氢键连接未配位的水分子，形成聚合物网络。还存在弱的C-H⋯π相互作用。
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