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首页> 外文期刊>Acta Crystallographica Section E: Crystallographic Communications >Crystal structure of (E)-4-hy-droxy-N′-(3-meth-oxy-benzyl-idene)benzohydrazide
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Crystal structure of (E)-4-hy-droxy-N′-(3-meth-oxy-benzyl-idene)benzohydrazide

机译:(E)-4-羟基-N-(3-甲基-氧-苄基-亚乙基)苯并肼的晶体结构

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The title compound, C15H14N2O3, crystallizes with two independent mol-ecules (A and B) in the asymmetric unit that differ in the orientation of the 3-meth-oxy-phenyl group with respect to the methyl-idenebenzohydrazide unit. The dihedral angles between the two benzene rings are 24.02?(10) and 29.30?(9)° in mol-ecules A and B, respectively. In mol-ecule A, the meth-oxy group is twisted slightly relative to its bound benzene ring, with a Cmeth-yl—O—C—C torsion angle of 14.2?(3)°, whereas it is almost co-planar in mol-ecule B, where the corresponding angle is ?2.4?(3)°. In the crystal, the mol-ecules are linked by N—H?O, O—H?N and O—H?O hydrogen bonds, as well as by weak C—H?O inter-actions, forming sheets parallel to the bc plane. The N—H?O hydrogen bond and weak C—H?O inter-action link different mol-ecules (A?B) whereas both O—H?N and O—H?O hydrogen bonds link like mol-ecules (A?A) and (B?B). Pairs of inversion-related B mol-ecules are stacked approximately along the a axis by π–π inter-actions in which the distance between the centroids of the 3-meth-oxy-phenyl rings is 3.5388?(12)??. The B mol-ecules also participate in weak C—H?π inter-actions between the 4-hy-droxy-phenyl and the 3-meth-oxy-phenyl rings.
机译:标题化合物C15H14N2O3在不对称单元中以两个独立的分子(A和B)结晶,该分子在3-甲基-氧基-苯基相对于甲基-亚甲基苯并肼单元的取向上不同。在分子-A和分子B中,两个苯环之间的二面角分别为24.02°(10)和29.30°(9)°。在分子A中,甲氧基相对于其结合的苯环略微扭曲,Cmethyl-OCC扭转角为14.2°(3)°,而在C上几乎是共面的分子-B,其中相应的角度为θ2.4θ(3)°。在晶体中,分子通过NH-O,OH-N和OH-O氢键以及弱的CH-O相互作用连接,形成平行于公元前飞机。 N-H2O氢键和弱C-H2O相互作用会连接不同的分子-分子(A-B),而O-H-N和O-H-O氢键都像分子-分子一样连接(A (A)和(B)。成对的与反转有关的B分子大约通过π-π相互作用沿a轴堆叠,其中3-甲基-氧-苯基环的质心之间的距离为3.5388?(12)?。 B mol-ecules还参与4-羟基-苯基和3-甲基-羟基-苯环之间的弱CHHπ相互作用。

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