Crystal Structure of Ethyl 6-Amino-5-cyano-4-(4-fluorophenyl)- 2,4-dihydropyrano[2,3-c]pyrazole-3-carboxylate
- Авторы: Kumar B.1, Banerjee B.2, Brahmachari G.2, Gupta V.K.1
-
Учреждения:
- X-ray Crystallography Laboratory, Post-Graduate Department of Physics and Electronics
- Laboratory of Natural Products and Organic Synthesis
- Выпуск: Том 63, № 3 (2018)
- Страницы: 388-393
- Раздел: Structure of Organic Compounds
- URL: https://journals.rcsi.science/1063-7745/article/view/192471
- DOI: https://doi.org/10.1134/S1063774518030057
- ID: 192471
Цитировать
Аннотация
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-f luorobenzaldehyde 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. \(P\bar 1\), a = 8.7914(7) Å, b = 11.3632(8) Å, c = 11.4005(9) Å, α = 62.278(7)°, β = 71.099(7)°, γ = 80.856(6)°, Z = 2, R = 0.0544 for 2491 observed ref lections. 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 N–H···N, N–H···O, C–H···F, and C–H···π hydrogen interactions. In addition, a number of weak π···π interactions also contribute to stabilize the crystal structure.
Об авторах
Balbir Kumar
X-ray Crystallography Laboratory, Post-Graduate Department of Physics and Electronics
Email: vivek_gupta2k2@hotmail.com
Индия, Jammu
Bubun Banerjee
Laboratory of Natural Products and Organic Synthesis
Email: vivek_gupta2k2@hotmail.com
Индия, Santiniketan, West Bengal
Goutam Brahmachari
Laboratory of Natural Products and Organic Synthesis
Email: vivek_gupta2k2@hotmail.com
Индия, Santiniketan, West Bengal
Vivek Gupta
X-ray Crystallography Laboratory, Post-Graduate Department of Physics and Electronics
Автор, ответственный за переписку.
Email: vivek_gupta2k2@hotmail.com
Индия, Jammu
Дополнительные файлы
