4-{[6-(4-溴苯基)-3-氧代-2,3,4,5-四氢哒嗪-4-基]甲基}苯甲酸甲酯
Methyl 4-{[6-(4-bromo-phen-yl)-3-oxo-2,3,4,5-tetra-hydro-pyridazin-4-yl]methyl}benzoate.
作者信息
Bortoluzzi Adailton J, Souza Luciana B P, Joussef Antônio C, Meyer Emerson
出版信息
Acta Crystallogr Sect E Struct Rep Online. 2011 May 1;67(Pt 5):o1230-1. doi: 10.1107/S160053681101467X. Epub 2011 Apr 29.
The structure of the title compound, C(19)H(17)BrN(2)O(3), consists of two cyclic groups, viz. 4-(meth-oxy-carbon-yl)phenyl and 6-(4-bromo-phen-yl)-3-oxo-2,3,4,5-dihydro-pyridazin-4-yl, which are linked by a methyl-ene spacer. The pyridazine ring is twisted and the dihedral angle between its mean plane and that of the bromo-phenyl mean plane is 17.2 (2)°. The 4-(meth-oxy-carbon-yl)phenyl group shows a quasi-planar conformation, where the dihedral angle between the mean planes of the phenyl ring and carboxyl-ate ester group is 7.9 (4)°. Centrosymmetric inter-molecular N-H⋯O hydrogen bonds form dimers. These are linked by C-Br⋯O=C inter-actions [Br⋯O = 3.10 (1) Å] to form a one-dimensional polymeric structure running along the [1[Formula: see text]0] direction.
标题化合物C(19)H(17)BrN(2)O(3)的结构由两个环状基团组成，即4-(甲氧基羰基)苯基和6-(4-溴苯基)-3-氧代-2,3,4,5-二氢哒嗪-4-基，它们通过一个亚甲基间隔基相连。哒嗪环呈扭曲状，其平均平面与溴苯平均平面之间的二面角为17.2 (2)°。4-(甲氧基羰基)苯基呈现出准平面构象，其中苯环平均平面与羧酸酯基团平均平面之间的二面角为7.9 (4)°。中心对称的分子间N-H⋯O氢键形成二聚体。这些二聚体通过C-Br⋯O=C相互作用[Br⋯O = 3.10 (1) Å]连接，形成沿[1[化学式：见原文]0]方向延伸的一维聚合结构。
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