Crystal structure of ethyl 4-(2,4-di­chloro­phen­yl)-2-methyl-4H-benzo[4,5]thia­zolo[3,2-a]pyrimidine-3-carboxyl­ate

Sankar T.; Naveen S.; Lokanath N.K.; Gunasekaran K.

首页> 外文期刊>Acta Crystallographica Section E: Crystallographic Communications >Crystal structure of ethyl 4-(2,4-dichlorophenyl)-2-methyl-4H-benzo[4,5]thiazolo[3,2-a]pyrimidine-3-carboxylate

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Crystal structure of ethyl 4-(2,4-dichlorophenyl)-2-methyl-4H-benzo[4,5]thiazolo[3,2-a]pyrimidine-3-carboxylate

机译：4-（2,4-二氯苯基）-2-甲基-4H-苯并[4,5]噻唑并[3,2-a]嘧啶-3-羧酸乙酯的晶体结构

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In the title compound, C20H16Cl2N2O2S, the pyrimidine ring has a screw-boat conformation. The attached dichlorophenyl ring is twisted at an angle of 89.29 (13)° with respect to the pyrimidine ring mean plane. The benzothiazole group is approximately planar (r.m.s. deviation = 0.008 Å) and inclined to the pyrimidine ring mean plane by 3.04 (10)°. The carboxylate group assumes an extended conformation with respect to the pyrimidine ring, which can be seen from the O=C—O—C torsion angle of 3.2 (4) °. In the crystal, molecules are linked via C—H⋯O and C—H⋯N hydrogen bonds, forming slabs lying parallel to (100).

机译：在标题化合物C20H16Cl2N2O2S中，嘧啶环具有螺舟构型。所连接的二氯苯基环相对于嘧啶环平均平面以89.29°（13）°的角度扭曲。苯并噻唑基团大约是平面的（r.m.s.偏差= 0.008Å），相对于嘧啶环的平均平面倾斜了3.04（10）°。羧酸根基团相对于嘧啶环呈延长的构象，这可从3.2°（4）°的O = OC扭转角看到。在晶体中，分子通过CHH和CHN氢键连接，形成平行于（100）的平板。

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《Acta Crystallographica Section E: Crystallographic Communications》 |2015年第5期|共页
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Sankar T.; Naveen S.; Lokanath N.K.; Gunasekaran K.;
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中图分类晶体学;
关键词
CRYSTAL STRUCTUREPYRIMIDINEBENZOTHIAZOLEC-H...O HYDROGEN BONDSC-H...N HYDROGEN BONDS;

机译：晶体结构嘧啶苯并噻唑-H ... O氢键SC-H ... N氢键;

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1. Crystal structure of ethyl 4-(2,4-dichlorophenyl)-2-methyl-4H-benzo[4,5]thiazolo[3,2-a]pyrimidine-3-carboxylate [J] . Sankar T., Naveen S., Lokanath N.K., Acta Crystallographica Section E: Crystallographic Communications . 2015,第5期

机译：4-（2,4-二氯苯基）-2-甲基-4H-苯并[4,5]噻唑并[3,2-a]嘧啶-3-羧酸乙酯的晶体结构
2. Crystal structure of ethyl 4-(2,4-dichlorophenyl)-2-methyl-4H-benzo[4,5]thiazolo[3,2-a]pyrimidine-3-carboxylate [J] . Sankar T., Naveen S., Lokanath N.K., Acta Crystallographica Section E: Crystallographic Communications . 2015,第5期

机译：4-（2,4-二氯苯基）-2-甲基-4H-苯并[4,5]噻唑并[3,2-a]嘧啶-3-羧酸乙酯的晶体结构
3. Crystal structure of (2-methyl-4-phenyl-4H-benzo[4,5]thiazolo[3,2-a]pyrimidin-3-yl)(phenyl)methanone [J] . Sankar T., Naveen S., Lokanath N.K., Acta Crystallographica Section E: Crystallographic Communications . 2015,第5期

机译：（2-甲基-4-苯基-4H-苯并[4,5]噻唑并[3,2-a]嘧啶-3-基）（苯基）甲酮的晶体结构
4. Synthesis and structure of 4-(4-amino-5-thioxo-4,5-dihydro- 1H-1,2,4-triazol-3-yl-methylene)-2-phenyl-1H-imidazol-5(4H)-one [C] . Nasrin Nami, Navabeh Nami, Olga Kovalchukova, Seminar on New Trends in Research of Energetic Materials . 2013

机译：4-（4-氨基-5-硫代-4,5-二氢-1H-1,2,4-三唑-3-基亚甲基）-2-苯基-1H-咪唑-5（4H）的合成与结构-一
5. Crystal structure of ethyl 4-(24-dichlorophenyl)-2-methyl-4H-benzo45thiazolo32-apyrimidine-3-carboxylate [O] . T. Sankar, S. Naveen, N. K. Lokanath, 2015

机译：4-（24-二氯氯苯甲基）-2-甲基-4H-苯并45噻唑并32-a嘧啶-3-羧酸乙酯的晶体结构
6. Crystal structure of ethyl 4-(2,4-dichlorophenyl)-2-methyl-4H-benzo[4,5]thiazolo[3,2-a]pyrimidine-3-carboxylate [O] . T. Sankar, S. Naveen, N. K. Lokanath, 2015

机译：4-（2,4-二氯苯基）-2-甲基-4H-苯并[4,5]噻唑并[3,2-a]嘧啶-3-羧酸乙酯的晶体结构

Crystal structure of ethyl 4-(2,4-di­chloro­phen­yl)-2-methyl-4H-benzo[4,5]thia­zolo[3,2-a]pyrimidine-3-carboxyl­ate

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Crystal structure of ethyl 4-(2,4-dichlorophenyl)-2-methyl-4H-benzo[4,5]thiazolo[3,2-a]pyrimidine-3-carboxylate