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首页> 外文期刊>Acta Crystallographica Section E: Crystallographic Communications >Crystal structure of (4Z)-4-[(2E)-3-(2-chloro­phen­yl)-1-hy­droxy­prop-2-en-1-yl­idene]-3-methyl-1-phenyl-1H-pyrazol-5(4H)-one
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Crystal structure of (4Z)-4-[(2E)-3-(2-chloro­phen­yl)-1-hy­droxy­prop-2-en-1-yl­idene]-3-methyl-1-phenyl-1H-pyrazol-5(4H)-one

机译:(4Z)-4-[(2E)-3-(2-氯苯基)-1-羟基丙-2-烯-1-基] -3-甲基-1-苯基-1H-吡唑-5(4H)的晶体结构)-一

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摘要

In the title compound, C19H15ClN2O2, the pyrazole ring is almost planar (r.m.s. deviation = 0.002 Å) and subtends dihedral angles of 5.31 (16) and 1.86 (16)° with the phenyl and chloro­benzene rings, respectively. An intra­molecular O—H⋯O hydrogen bond closes an S(6) ring and a short C—H⋯O contact is also observed. In the crystal, mol­ecules are linked by weak C—H⋯O inter­actions to generate (001) sheets. Weak aromatic π–π inter­actions between the chloro­benzene and pyrazole rings, with a centroid–centroid distance of 3.7956 (17) Å are also observed.
机译:在标题化合物C19H15ClN2O2中,吡唑环几乎是平面的(r.m.s.偏差= 0.002Å),对二面角分别为5.31 sub(16)和1.86(16)°,分别与苯基和氯苯环成对角。分子内OH-H氢键封闭了一个S(6)环,并且还观察到了短暂的CH-O接触。在晶体中,分子之间通过弱CH-O = O相互作用连接,从而生成(001)薄片。还观察到氯苯和吡唑环之间的弱芳香π-π相互作用,质心-质心距离为3.7956(17)Å。

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