Crystal Structure of Ethyl 6-Amino-5-cyano-4-(4-fluorophenyl)-2,4-dihydropyrano[2,3-c]pyrazole-3-carboxylate

被引：0
作者：
Kumar, Balbir [1 ]
Banerjee, Bubun [2 ]
Brahmachari, Goutam [2 ]
Gupta, Vivek K. [1 ]
机构：
[1] Univ Jammu, Postgrad Dept Phys & Elect, Xray Crystallog Lab, Jammu, India
[2] Visva Bharati, Dept Chem, Lab Nat Prod & Organ Synth, Santini Ketan, W Bengal, India
来源：
CRYSTALLOGRAPHY REPORTS | 2018年 / 63卷 / 03期
关键词：
BIOLOGICAL-ACTIVITY;
D O I：
10.1134/S1063774518030057
中图分类号：
O7 [晶体学];
学科分类号：
0702 ; 070205 ; 0703 ; 080501 ;
摘要：
Ethyl 6-amino-5-cyano-4-(4-fluorophenyl)-2,4-dihydropyrano[2,3-c]pyrazole-3-carboxylate was synthesized based on a commercially available trisodium citrate dihydrate as an inexpensive and eco-friendly catalyst for the first-time via one-pot tandem Knoevenagel-cyclocondensation of malononitrile, 4-fluorobenzaldehyde and in situ generated ethyl 5-oxo-2,5-dihydro-1H-pyrazole-3-carboxylate in aqueous ethanol at room temperature and its crystal structure is determined by X-ray structure analysis. The crystals are triclinic, sp. gr. P\l=1_\ a = 8.7914(7) &, b = 11.3632(8) &, c = 11.4005(9) &, alpha = 62.278(7)degrees, (beta = 71.099(7)degrees, gamma = 80.856(6)degrees, Z=2,R = 0.0544 for 2491 observed reflections. Pyran and pyrazole rings are almost coplanar and phenyl ring is almost perpendicular to these two rings. Pyran ring adopts boat conformation. The crystal structure is stabilized by NHN, NHO, CHF, and CH-pi hydrogen interactions. In addition, a number of weak pi pi interactions also contribute to stabilize the crystal structure.
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页码：388 / 393
页数：6
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