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.
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收藏
页码：1051 / 1054
页数：4
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