X-ray Crystallography of Methyl (6-amino-5-cyano-2-methyl-4-(2-nitrophenyl)-4H-pyran)-3-carboxylate

被引：0

作者：

Sharma, Suresh ^{[1
]}

Banerjee, Bubun ^{[2
]}

Brahmachari, Goutam ^{[2
]}

Kant, Rajni ^{[1
]}

Gupta, Vivek K. ^{[1
]}

机构：

[1] Univ Jammu, Postgrad Dept Phys & Elect, Xray Crystallog Lab, Jammu 180006, India

[2] Visva Bharati, Dept Chem, Lab Nat Prod & Organ Synth, Santini Ketan 731235, W Bengal, India

来源：

CRYSTALLOGRAPHY REPORTS | 2016年 / 61卷 / 07期

关键词：

ACID;

D O I：

10.1134/S1063774516070105

中图分类号：

O7 [晶体学];

学科分类号：

0702 ; 070205 ; 0703 ; 080501 ;

摘要：

The organic carbonitrile namely methyl (6-amino-5-cyano-2-methyl-4-(2-nitrophenyl)-4H-pyran)-3-carboxylate is synthesized via one-pot multi-component reaction at room temperature using commercially available urea as inexpensive and environmentally benign organo-catalyst and its crystal structure is determined by X-ray technique. The crystals are monoclinic, sp. gr. C2/c, a = 12.3069(8) angstrom, b = 9.7023(7) angstrom, c = 24.812(2) angstrom, beta = 94.862(6)degrees, Z = 8. The dihedral angle between pyran and phenyl rings is 87.8(1)degrees; the pyran ring is almost planar The dihedral angle between the mean planes of phenyl ring and nitro group is 44.4(2)degrees. The crystal structure is stabilized by N-H center dot center dot center dot N and N-H center dot center dot center dot O hydrogen bonds. In addition, C-H center dot center dot center dot pi interactions are also observed in the crystal structure.

引用

页码：1051 / 1054

页数：4

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