N-[4-乙酰基-5-异丁基-5-(2-对甲苯基丙基)-4,5-二氢-1,3,4-噻二唑-2-基]乙酰胺乙酸乙酯半溶剂合物
N-[4-Acetyl-5-isobutyl-5-(2-p-tolyl-prop-yl)-4,5-dihydro-1,3,4-thia-diazol-2-yl]acetamide ethyl acetate hemisolvate.
作者信息
Loughzail Mohamed, Mazoir Noureddine, Maya Celia M, Berraho Moha, Benharref Ahmed, Bouhmaida Nouzha
出版信息
Acta Crystallogr Sect E Struct Rep Online. 2008 Dec 3;65(Pt 1):o4. doi: 10.1107/S1600536808039998.
The racemic title compound, a new terpenoid, C(20)H(29)N(3)O(2)S·0.5C(4)H(8)O(2), was synthesized from Cedrus Atlantica essential oil. The compound crystallizes with a disordered ethyl acetate solvent mol-ecule. The thia-diazole ring is almost planar, with a maximum deviation from the mean plane of 0.015 (2) Å for the C atom connected to the isobutyl group and has a puckering amplitude of 0.026 (2) Å. The dihedral angle between the benzene and thia-diazole rings is 18.32 (8)°. The crystal packing involves inter-molecular N-H⋯O hydrogen bonds.
外消旋标题化合物是一种新的萜类化合物，化学式为C(20)H(29)N(3)O(2)S·0.5C(4)H(8)O(2)，由大西洋雪松精油合成。该化合物结晶时含有一个无序的乙酸乙酯溶剂分子。噻二唑环几乎是平面的，与连接异丁基的C原子的平均平面的最大偏差为0.015 (2) Å，褶皱幅度为0.026 (2) Å。苯环和噻二唑环之间的二面角为18.32 (8)°。晶体堆积涉及分子间N-H⋯O氢键。
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