[3-(4-氯苯基)-5-羟基-5-苯基-4,5-二氢-1H-吡唑-1-基](3-吡啶基)甲酮
[3-(4-Chloro-phen-yl)-5-hydr-oxy-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl](3-pyrid-yl)methanone.
作者信息
Fun Hoong-Kun, Jebas Samuel Robinson, Rao Jyothi N, Kalluraya B
出版信息
Acta Crystallogr Sect E Struct Rep Online. 2008 Nov 13;64(Pt 12):o2363-4. doi: 10.1107/S1600536808037161.
In the title compound, C(21)H(16)ClN(3)O(2), the dihedral angles formed by the pyrazole ring with the pyridyl, phenyl-ene and phenyl rings are 6.80 (5), 9.23 (5) and 74.96 (5)°, respectively. The phenyl and phenyl-ene rings are inclined at 80.14 (2)°. Intra-molecular O-H⋯O and C-H⋯N hydrogen bonds generate S(6) ring motifs. The crystal packing is strengthened by short inter-molecular O-H⋯N, C-H⋯O hydrogen bonds and π-π stacking inter-actions with centroid-centroid distances of 3.6247 (5)-3.7205 (5) Å, together with inter-molecular short O⋯N contacts [2.7682 (11) Å]. Mol-ecules are linked into infinite chains along [100].
在标题化合物C₂₁H₁₆ClN₃O₂中，吡唑环与吡啶基、亚苯基和苯环形成的二面角分别为6.80 (5)°、9.23 (5)°和74.96 (5)°。苯环和亚苯基环的夹角为80.14 (2)°。分子内的O—H⋯O和C—H⋯N氢键形成了S(6)环模式。分子间的短O—H⋯N、C—H⋯O氢键以及质心间距为3.6247 (5) - 3.7205 (5) Å的π - π堆积相互作用，连同分子间短的O⋯N接触[2.7682 (11) Å]，加强了晶体堆积。分子沿[100]方向连接成无限链。
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