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3-(2-Chloro-pyridin-3-yl)quinazoline-2,4(1H,3H)-dione chloro-form monosolvate

机译:3-(2-氯吡啶-3-基)喹唑啉-2,4(1H,3H)-二酮氯仿单溶剂化物

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The solvated title compound, C13H8ClN3O2CHCl3, is a product of a condensation reaction between 2-amino-N-(2-chloropyridin-3-yl)benzamide and phosgene. The presence of the chlorine substituent in the pyridine ring forces the latter to adopt a nearly perpendicular orientation relative to the planar quinazoline ring (r.m.s. deviation = 0.04 A? ), the two ring systems being inclined to one another by 84.28 (9). In the crystal, molecules are linked by pairs of N—HO hydrogen bonds, forming inversion dimers with an R2 2 (8) ring motif. The dimers are linked by C—HO hydrogen bonds, forming ribbons propagating along the a-axis direction. The chloroform solvent molecules are linked to the organic molecule by C—HN hydrogen bonds.
机译:溶剂化的标题化合物C 13 H 8 ClN 3 O 2 CHCl 3是2-氨基-N-(2-氯吡啶基-3-基)苯甲酰胺与光气之间缩合反应的产物。吡啶环中氯取代基的存在迫使后者相对于平面喹唑啉环采取近似垂直的取向(r.m.s.偏差= 0.04 A2),两个环体系相互倾斜84.28(9)。在晶体中,分子通过成对的N-HO氢键连接,形成具有R2 2(8)环基序的倒置二聚体。二聚体通过C-HO氢键连接,形成沿a轴方向传播的带。氯仿溶剂分子通过CHN氢键与有机分子连接。

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