Crystal structure of 1-amino-3-(4-chloro-phen-yl)-2-cyano-3H-benzo[4,5]thia-zolo[3,2-a]pyridine-4-carboxamide.

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作者:Metwally Nadia H, Elgemeie Galal H, Abd Al-Latif El-Shimaa S M, Jones Peter G
In the structure of the title compound, C(19)H(13)ClN(4)OS, the four atoms of the pyridinic ring that are not fused with the thia-zole, including the sp (3) C atom, lie significantly outside the benzo-thia-zole plane. A short intra-molecular S⋯O contact of 2.5992†(4)†à is observed. The amide NH(2) group is planar, whereas the amine NH(2) group is pyramidalized. The three-dimensional packing involves two inter-connected layer structures. The first, parallel to the bc plane, involves three classical hydrogen bonds N-H(amine)⋯O (one of two), N-H(amine)⋯Cl and one N-H(amide) ⋯N(cyano); the second, parallel to the ab plane, involves two hydrogen bonds, N-H(amide)⋯O and the second N-H(amine)⋯O, together with the short and linear contact N(cyano)⋯Cl-C, which may be regarded as a halogen bond.

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