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(E)-1-(4-Amino-phen-yl)-3-[4-(benz-yl-oxy)phen-yl]prop-2-en-1-one

机译:(E)-1-(4-氨基-苯甲酰基)-3- [4-(苯甲酰基-氧基)苯甲酰基] prop-2-en-1-one

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摘要

The title compound, C22H19NO2, crystallizes with two independent mol-ecules (A?and?B) in the asymmetric unit. The benz-yloxy ring in mol-ecule?A?is disordered over two sets of sites, with a refined occupancy ratio of 0.665?(6):0.335?(6). Both mol-ecules have an?E?conformation about the C=C bond of the prop-2-en-1-one unit. In the major component of mol-ecule?A, the amino-benzene and benz-yloxy rings are inclined to the central benzene ring by 20.12?(16) and 36.2?(3)°, respectively, and by 55.6?(3)° to one another. In mol-ecule?B, the corresponding dihedral angles are 23.65?(12), 10.24?(14) and 23.07?(14)°, respectively. In the crystal, the two mol-ecules are linked by an N—H?O hydrogen bond. These?A–B?units are linked by N—H?π?and C—H?π?inter-actions, forming undulating sheets parallel to the?ab?plane.
机译:标题化合物C22H19NO2在不对称单元中以两个独立的分子(Aβ和βB)结晶。 mol-ecule?A?中的苯甲酰氧基环在两组位点上是无序的,精确的占有率为0.665?(6):0.335?(6)。两种分子都具有关于prop-2-en-1-一个单元的C = C键的ΔE构象。在mol-eculeαA的主要成分中,氨基苯和苯甲氧基环相对于中心苯环分别倾斜20.12°(16)和36.2°(3)°,以及55.6°(3)。彼此之间。在分子εB中,相应的二面角分别为23.65°(12),10.24°(14)和23.07°(14)°。在晶体中,这两个分子通过N-H2O氢键相连。这些A-B-单元通过NH-π和CH-π-相互作用相互连接,形成平行于α-平面的波状片。

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