Crystal structure of N-(2-benzoyl-5-ethynylphen­yl)quinoline-2-carboxamide

Pe#241; a-Sol#243; rzano D.; K#246; nig B.; Sierra C.A.; Ochoa-Puentes C.

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Crystal structure of N-(2-benzoyl-5-ethynylphenyl)quinoline-2-carboxamide

机译：N-（2-苯甲酰基-5-乙炔基苯基）喹啉-2-羧酰胺的晶体结构

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In the title compound, C25H16N2O2, the quinoline ring system is essentially planar, with a maximum deviation of 0.030 (1) Å, and forms a dihedral angle of 20.9 (1)° with benzoyl benzene ring. The unsubstituted phenyl ring forms dihedral angles of 52.7 (1)° with the quinoline ring system and 54.1 (1)° with the ethynyl-substituted benzene ring. The molecule contains an intramolecular bifurcated N—H⋯(O,N) hydrogen bond, forming S(5) and S(6) rings, which may influence the conformation of the molecule. In the crystal, weak C—H⋯O hydrogen bonds link the molecules into a three-dimensional network. In addition, the three-dimensional structure contains π–π stacking interactions, with centroid–centroid distances of 3.695 (1) and 3.751 (1) Å.

机译：在标题化合物C25H16N2O2中，喹啉环系基本上是平面的，最大偏差为0.030（1）Å，并与苯甲酰基苯环形成二面角为20.9 di（1）°。未取代的苯环与喹啉环系形成52.7°（1）°的二面角，与乙炔基取代的苯环形成54.1°（1）°的二面角。该分子包含一个分子内分叉的N-H⋯（O，N）氢键，形成S（5）和S（6）环，这可能会影响分子的构象。在晶体中，弱的CHHO氢键将分子连接成三维网络。此外，三维结构包含π-π堆积相互作用，质心-质心距离为3.695（1）和3.751（1）Å。

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《Acta Crystallographica Section E: Crystallographic Communications》 |2017年第4期|共4页
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Pe#241; a-Sol#243; rzano D.; K#246; nig B.; Sierra C.A.; Ochoa-Puentes C.;
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Crystal structure of N-(2-benzoyl-5-ethynylphen­yl)quinoline-2-carboxamide

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Crystal structure of N-(2-benzoyl-5-ethynylphenyl)quinoline-2-carboxamide