1,3-Diphenyl-4,5-dihydro-1H-pyrazol-5-one.
1,3-Diphenyl-4,5-dihydro-1H-pyrazol-5-one.
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DOI：
10.1107/s1600536812009567
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发表时间：
2012-04-01
期刊：
影响因子：
--
通讯作者：
Wardell JL
中科院分区：
文献类型：
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作者：
Baddeley TC;Wardell SM;Tiekink ER;Wardell JL
标题化合物C_（15）H_（12）N_（2 O）的五元环近似为平面环（r.m.s.偏差= 0.018 °），并且N-和C-结合的苯环倾斜于该平面[二面角分别= 21.45（10）和6.96（10）°]并且彼此形成20.42（10）°的二面角。 晶体结构中通过C-H O和C-H N相互作用形成超分子层，并通过吡唑和C-结合苯环之间的C-H π和π-π相互作用组装成双层[环质心-质心距离= 3.6476（12）π]。 双分子层沿着a轴堆叠，通过N-和C-结合苯环之间的π-π相互作用连接[环质心-质心距离= 3.7718（12）π]。
In the title pyrazolone derivative, C15H12N2O, the five-membered ring is approximately planar (r.m.s. deviation = 0.018 Å), and the N- and C-bound benzene rings are inclined to this plane [dihedral angles = 21.45 (10) and 6.96 (10)°, respectively] and form a dihedral angle of 20.42 (10)° with each other. Supramolecular layers are formed in the crystal structure via C—H⋯O and C—H⋯N interactions, and these are assembled into double layers by C—H⋯π and π–π interactions between the pyrazole and C-bound benzene rings [ring centroid–centroid distance = 3.6476 (12) Å]. The double layers stack along the a axis being connected by π–π interactions between the N- and C-bound benzene rings [ring centroid–centroid distance = 3.7718 (12) Å].