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首页> 外文期刊>Journal of chemical crystallography >syn, E-1-cyclopentano-4-ethyl-3-thiosemicarbazone and syn, E-1-cyclopentano-4-phenyl-3-thiosemicarbazone
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syn, E-1-cyclopentano-4-ethyl-3-thiosemicarbazone and syn, E-1-cyclopentano-4-phenyl-3-thiosemicarbazone

机译:syn,E-1-环戊基-4-乙基-3-硫代半碳and和syn,E-1-环戊基-4-苯基-3-硫代半碳zone

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摘要

The structures of two thiosemicarbazones are described: syn, E-1-cyclopentano-4-ethyl-3-thiosemicarbazone (1) and syn, E-1-cyclopentano-4-phenyl-3-thiosemicarbazone (2). Crystal data: for 1: tetragonal, P4_3 (#78), a = b = 8.922(7) A, c = 12.899(13) A, and Z = 4; for 2: monoclinic a = 15.163(18) A, b = 7.482(5) A, c = 12.467(15) A, #beta# = 119.04(7) deg, and Z = 4. In 1, molecules are linked by hydrogen-bonding into infinite chains with non-planar 9-ring subunits in which thioamides interact with the H-N-C-N-N groups of neighbors. Thioamide groups in 2 form dimers linked by N-B...HS hydrogen-bonds with a planar 8-ring as in solid state structures of carboxylic acids. The semicarbazide syn conformation fosters formation of N-H...N intramolecular hydrogen-bonding in each structure. The solid state structures are consistent with their infrared and proton nuclear magnetic resonance spectra.
机译:描述了两种硫代半脲的结构:顺式,E-1-环戊基-4-乙基-3-硫代半脲(1)和顺式,E-1-环戊基-4-苯基-3-硫代半脲(2)。晶体数据:对于1:四边形,P4_3(#78),a = b = 8.922(7)A,c = 12.899(13)A,Z = 4;对于2:单斜晶a = 15.163(18)A,b = 7.482(5)A,c = 12.467(15)A,#beta#= 119.04(7)deg,Z = 4.在1中,分子通过通过非平面9环亚单元将氢键结合成无限链,其中硫酰胺与邻居的HNCNN基团相互作用。与羧酸的固态结构一样,硫酰胺基有2个形式通过N-B ... HS氢键与平面8环相连的二聚体。氨基脲顺式构象促进每个结构中N-H ... N分子内氢键的形成。固态结构与其红外和质子核磁共振谱一致。

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