首页> 外文OA文献 >Crystal structure of (E)-N-{2-2-(3-chloro-benzyl-idene)hydrazin-yl-2-oxoeth-yl}-4-methyl-benzene-sulfonamide monohydrate
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Crystal structure of (E)-N-{2-2-(3-chloro-benzyl-idene)hydrazin-yl-2-oxoeth-yl}-4-methyl-benzene-sulfonamide monohydrate

机译:(E)-N- {2- 2-(3-氯 - 苄基 - 甲基)肼基 -2-氧代 - 乙基} -4-甲基 - 苯 - 磺酰胺一水合物的晶体结构

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摘要

The mol-ecule of the title compound, C16H16ClN3O3S·H2O, is L-shaped being bent at the S atom; the S-N-C-C torsion angle is 132.0 (3)°. The central part of the mol-ecule, C-C-N-N=C, is almost linear, with the C-C-N-N and C-N-N=C torsion angles being -174.1 (2) and 176.0 (2)°, respectively. The dihedral angle between the p-toluene-sulfonyl ring and the S-N-C-C(=O) segment is 67.5 (4)°, while that between the two aromatic rings is 52.17 (11)°. In the crystal, the water H atom is involved in O-H⋯O hydrogen bonds with a sulfonamide O atom and the carbonyl O atom. The water O atom is itself hydrogen bonded to both NH hydrogen atoms. These four hydrogen bonds lead to the formation of corrugated sheets lying parallel to (100). There are also weak C-H⋯O contacts present within the sheets.
机译:标题化合物C16H16ClN3O3S·H2O的分子为L形,在S原子处弯曲。 S-N-C-C扭转角为132.0°(3)°。分子中心的C-C-N-N = C几乎是线性的,C-C-N-N和C-N-N = C扭转角分别为-174.1°(2)和176.0°(2)°。对甲苯-磺酰基环与S-N-C-C(= O)链段之间的二面角为67.5°(4)°,而两个芳环之间的二面角为52.17°(11)°。在晶体中,水的H原子与磺酰胺O原子和羰基O原子参与O-H = O氢键。水O原子本身是与两个NH氢原子键合的氢。这四个氢键导致形成平行于(100)的波纹片。片材中也存在弱的C-H = O接触。

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