Synthesis, Characterization, Crystal and Molecular Structure Analysis of 2,6-Dimethyl-3-acetyl-5-carbomethoxy-4-(3-nitrophenyl)-1,4-dihydropyridi ne

Adlakha P; Naveen S; Lakshmi S; Manvar A; Karia D; Shah A; Sridhar MA; Prasad JS

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Synthesis, Characterization, Crystal and Molecular Structure Analysis of 2,6-Dimethyl-3-acetyl-5-carbomethoxy-4-(3-nitrophenyl)-1,4-dihydropyridi ne

机译：2,6-二甲基-3-乙酰基-5-羰基甲氧基-4-（3-硝基苯基）-1,4-二氢吡啶基的合成，表征，晶体结构和分子结构分析

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A novel unsymmetrical dihydropyridine, possessing carboxymethyl and carbomethoxy groups at C(3) and C(5), respectively, has been produced using a modified Hantzsch synthesis, under solvent free conditions, in a domestic microwave oven. The product obtained was characterized by spectroscopic techniques and finally confirmed by X-ray diffraction studies. The title compound C17H18N2O5 crystallizes in the monoclinic system in the space group P2(1)/c with cell parameters a = 12.860(2) angstrom, b = 7.4950(6) angstrom, c = 16.734(3) angstrom, beta = 94.436(3)degrees, Z = 4 and V = 1608.1(4) angstrom(3). The 1,4-dihydropyridine ring in the structure is in a flattened boat conformation. The molecule possesses a chiral center at C4. The 3-nitrophenyl ring is nearly orthogonal to the 1,4-dihydropyridine ring. The carbonyl groups at C3 and C5 are oriented in -antiperiplanar and +synperiplanar conformations, respectively. The structure exhibits both inter and intramolecular hydrogen bonds of the type N-H center dot center dot center dot O and C-H center dot center dot center dot O.

机译：一种新型的不对称二氢吡啶，分别在C（3）和C（5）处具有羧甲基和碳甲氧基基团，是在家用微波炉中使用改良的Hantzsch合成法在无溶剂条件下生产的。通过光谱技术表征获得的产物，并最终通过X射线衍射研究证实。标题化合物C17H18N2O5在空间组P2（1）/ c中的单斜晶系系统中结晶，细胞参数a = 12.860（2）埃，b = 7.4950（6）埃，c = 16.734（3）埃，beta = 94.436（ 3）度，Z = 4，V = 1608.1（4）埃（3）。结构中的1,4-二氢吡啶环呈扁平船形。该分子在C4处具有手性中心。 3-硝基苯基环几乎与1，4-二氢吡啶环正交。在C3和C5处的羰基分别以-反正平面和+正反平面构型取向。该结构同时显示N-H型中心点中心点中心点O和C-H型中心点中心点中心点O型的分子间和分子内氢键。

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来源
《Journal of chemical crystallography》 |2009年第6期|共6页
作者
Adlakha P; Naveen S; Lakshmi S; Manvar A; Karia D; Shah A; Sridhar MA; Prasad JS;
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正文语种 eng
中图分类晶体学;
关键词
1; 4-Dihydropyridine; Hantzsch synthesis; Crystal structure; Flattened boat; Hydrogen bonds;

机译：1;4-二氢吡啶;Hantzsch合成;晶体结构;平底船;氢键;

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1. Synthesis, Characterization, Crystal and Molecular Structure Analysis of 2,6-Dimethyl-3-acetyl-5-carbomethoxy-4-(3-nitrophenyl)-1,4-dihydropyridi ne [J] . Adlakha P, Naveen S, Lakshmi S, Journal of chemical crystallography . 2009,第6期

机译：2,6-二甲基-3-乙酰基-5-羰基甲氧基-4-（3-硝基苯基）-1,4-二氢吡啶基的合成，表征，晶体结构和分子结构分析
2. Synthesis, characterization, crystal and molecular structure analysis of N-(2,4-dimethylphenyl)-6-methyl-4-(3-nitrophenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxamide [J] . S. Naveen, Priti Adlakha, Chintan Dholakia, Structural Chemistry . 2006,第6期

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Synthesis, Characterization, Crystal and Molecular Structure Analysis of 2,6-Dimethyl-3-acetyl-5-carbomethoxy-4-(3-nitrophenyl)-1,4-dihydropyridi ne

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