首页> 外文期刊>Journal of chemical crystallography >Synthesis and crystal structures of N'-(5-bromo-2-hydroxy-3- methoxybenzylidene)-4-methoxybenzohydrazide and 4-{[1-(5-bromo-2-hydroxy3- methoxyphenyl)methylidene]amino}-1-methyl-2-phenyl-1,2-dihydropyrazol-3-one
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Synthesis and crystal structures of N'-(5-bromo-2-hydroxy-3- methoxybenzylidene)-4-methoxybenzohydrazide and 4-{[1-(5-bromo-2-hydroxy3- methoxyphenyl)methylidene]amino}-1-methyl-2-phenyl-1,2-dihydropyrazol-3-one

机译:N' - (5-溴-2-羟基-3-甲氧基苄基肼)-4-甲氧基苯肼的合成和晶体结构和4 - {[1-(5-溴-2-羟基3-甲氧基苯基)甲基氨基} -1- 甲基-2-苯基-1,2-二氢吡唑-3-一

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摘要

Two Schiff bases, N'-(5-bromo-2-hydroxy-3-methoxybenzylidene)-4- methoxybenzohydrazide (1) and 4-{[1-(5-bromo-2-hydroxy3-methoxyphenyl) methylidene]-amino}-1-methyl-2-phenyl-1,2-dihydropyrazol-3-one (2), have been synthesized by the reaction of 5-bromo-3-methoxysalicylaldehyde with 4-methoxybenzohydrazide and 4-aminoantipyrine, respectively. The compounds were characterized by elemental analysis and X-ray single crystal determination. Compound (1) crystallizes in the monoclinic space group P2_(1/c) with unit cell dimensions a = 14.919(1), b = 8.249(2), c = 41.515(4) ?, β = 111.054(2)°, V = 4768.1(13) ?3, Z = 12, R1 = 0.0765, and wR2 = 0.1733. Compound (2) crystallizes in the monoclinic space group P2_(1/c) with unit cell dimensions a = 7.826(1), b = 13.791(1), c = 17.090(2) ?, β = 100.137(2)°, V = 1815.7(3) ?3, Z = 4, R_1 = 0.0334, and wR_2 = 0.0736. Both molecules of the compounds display E configuration with respect to the C=N double bonds. In the crystal structure of (1), molecules are linked via intermolecular N-H?O hydrogen bonds, forming chain structure along the a axis. In the crystal structure of (2), molecules are linked via weak Br?O interactions, forming chain structure along the c axis.
机译:两种席夫碱,N' - (5-溴-2-羟基-3-甲氧基苄基二甲基苄基)-4-甲氧基苯肼(1)和4 - {[1-(5-溴-2-羟基3-甲氧基苯基)甲基] - amino} -1-甲基-2-苯基-1,2-二氢吡唑-3-一(2),通过5-溴-3-甲氧基羟基肼和4-氨基酰亚胺酰亚胺的反应合成。通过元素分析和X射线单晶测定表征化合物。化合物(1)在单斜透视组p2_(1 / c)中结晶,单位细胞尺寸A = 14.919(1),B = 8.249(2),C = 41.515(4)?,β= 111.054(2)°, v = 4768.1(13)?3,z = 12,R1 = 0.0765,WR2 = 0.1733。化合物(2)在单斜透视组P2_(1 / C)中结晶,单位细胞尺寸A = 7.826(1),B = 13.791(1),C = 17.090(2)?,β= 100.137(2)°, v = 1815.7(3)?3,Z = 4,R_1 = 0.0334,WR_2 = 0.0736。化合物的两个分子相对于C = N双键显示E构型。在(1)的晶体结构中,分子通过分子间N-H 2 O氢键连接,沿轴线形成链结构。在(2)的晶体结构中,分子通过弱BrΔO相互作用连接,形成沿C轴的链结构。

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