Crystal structure of 2,2,4-trimethyl-2,3,4,5-tetra­hydro-1H-benzo[b][1,4]diazepine hemihydrate

Ezhilarasi K.S.; Akila A.; Ponnuswamy S.; Revathi B.K.; Usha G.

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Crystal structure of 2,2,4-trimethyl-2,3,4,5-tetrahydro-1H-benzo[b][1,4]diazepine hemihydrate

机译：2,2,4-三甲基-2,3,4,5-四氢-1H-苯并[b] [1,4]二氮杂半水合物的晶体结构

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The title compound, C12H18N2·0.5H2O, crystallizes with two independent organic molecules (A and B) in the asymmetric unit, together with a water molecule of crystallization. The diazepine rings in each molecule have a chair conformation. The dihedral angle between benzene ring and the mean plane of the diazepine ring is 21.15 (12)° in molecule A and 17.42 (11)° in molecule B. In the crystal, molecules are linked by N—H⋯O and O—H⋯N hydrogen bonds, forming zigzag chains propagating along [001].

机译：标题化合物C12H18N2·0.5H2O在不对称单元中与两个独立的有机分子（A和B）一起结晶，并与水分子一起结晶。每个分子中的二氮杂rings环具有椅子构型。苯环与二氮杂环的平均平面之间的二面角在分子A中为21.15°（12）°，在分子B中为17.42°（11）°。在晶体中，分子通过NH-OH和OH连接⋯N氢键，形成沿着[001]传播的之字形链。

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《Acta Crystallographica Section E: Crystallographic Communications》 |2015年第8期|共页
作者
Ezhilarasi K.S.; Akila A.; Ponnuswamy S.; Revathi B.K.; Usha G.;
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中图分类晶体学;
关键词
CRYSTAL STRUCTUREBENZODIAZEPINEHYDROGEN BONDING;

机译：晶体结构苯并二氮杂双氢键;

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1. Crystal structure of 2,2,4-trimethyl-2,3,4,5-tetrahydro-1H-benzo[b][1,4]diazepine hemihydrate [J] . Ezhilarasi K.S., Akila A., Ponnuswamy S., Acta Crystallographica Section E: Crystallographic Communications . 2015,第8期

机译：2,2,4-三甲基-2,3,4,5-四氢-1H-苯并[b] [1,4]二氮杂半水合物的晶体结构
2. Crystal structure of 2,2,4-trimethyl-2,3,4,5-tetrahydro-1H-benzo[b][1,4]diazepine hemihydrate [J] . Ezhilarasi K.S., Akila A., Ponnuswamy S., Acta Crystallographica Section E: Crystallographic Communications . 2015,第8期

机译：2,2,4-三甲基-2,3,4,5-四氢-1H-苯并[b] [1,4]二氮杂半水合物的晶体结构
3. 2,2,4-Trimethyl-5-(4-tolylsulfonyl)-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine [J] . Ilango S.S., Ponnuswamy M.N., Ponnuswamy S., Acta Crystallographica Section E: Crystallographic Communications . 2009,第10期

机译：2,2,4-三甲基-5-（4-甲苯磺酰基）-2,3,4,5-四氢-1H-1,5-苯并二氮杂
4. Synthesis of 1,5,6,10-Tetranitrodecahydro-1,4 Diazepino 2,3-b Diazepine and Its Thermal Property Research [C] . Sainan Li, Zihui Meng, Zhibin Xu International Conference on Advanced Composite Materials and Manufacturing Engineering . 2018

机译：合成1,5,6,10-四腈二苯并羟基羟基羟基苯并羟基苯并羟基氨基2,3-B二氮杂化及其热性质研究
5. NMR spectroscopy and the thermal solid state polymerizations of crystalline 2,4-hexadiyne-1,6-diol bis-(p-toluenesulfonate), p-ethynylbenzoic acid, and 2,3-dicyano-5,7-dimethyl-6 H-1,4-diazepine. [D] . Njus, Jeffrey M. 2004

机译：结晶2,4-己二炔-1,6-二醇双-（对甲苯磺酸盐），对乙炔基苯甲酸和2,3-二氰基-5,7-二甲基-6 H-的NMR光谱和热固态聚合1,4-二氮杂.。
6. Crystal structure of 224-trimethyl-2345-tetrahydro-1H-benzob14diazepine hemihydrate [O] . K. S. Ezhilarasi, A. Akila, S. Ponnuswamy, 2015

机译：224-三甲基-2345-四氢-1H-苯并b 14二氮杂半水合物的晶体结构
7. Crystal structure of 2,2,4-trimethyl-2,3,4,5-tetrahydro-1H-benzo[b][1,4]diazepine hemihydrate [O] . K. S. Ezhilarasi, A. Akila, S. Ponnuswamy, 2015

机译：2,2,4-三甲基-2,3,4,5-四氢-1H-苯并[b] [1,4]二氮杂半水合物的晶体结构
8. Solid State Solution Behavior of Triorganotin (IV) Derivatives Containing the2,4,6-Tris-(Triflu oromethyl)Benzene 1,4-Bis(Perfluoroisopropoxy) Tetrafluorobenzene Ligands: Crystal Molecular Structures of 2,4,6-(CF3)3C6H2Sn(C6H5)3 and 1,4-(CH3)SnOC(CF)32C6F [R] . Vij, A., Kirchmeier, R. L., Willett, R. D., 1994

机译：含有2,4,6-三 - （三氟甲基）苯1,4-双（全氟异丙氧基）四氟苯配体的三有机锡（Ⅳ）衍生物的固态溶液行为：2,4,6-（CF3）3C6H2sn的晶体分子结构（ C 6 H 5）3和1,4-（CH 3）snOC（CF）32C6F

Crystal structure of 2,2,4-trimethyl-2,3,4,5-tetra­hydro-1H-benzo[b][1,4]diazepine hemihydrate

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Crystal structure of 2,2,4-trimethyl-2,3,4,5-tetrahydro-1H-benzo[b][1,4]diazepine hemihydrate