European Journal of Chemistry

Crystal structure of 6-amino-3-methyl-4-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile


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Naresh Sharma
Indrajit Karmakar
Goutam Brahmachari
Vivek Kumar Gupta


The crystal structure of the title compound, 6-amino-3-methyl-4-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile, were determined by single crystal X-ray structure analysis. The compound C14H12N4O crystallizes in the triclinic crystal system with the P-1 space group (no. 2), having unit cell parameters a = 6.4788(7) Å, b = 8.8433(7) Å, c = 10.7377(9) Å, α = 103.456(7)°, β = 99.207(8)°, γ = 92.451(8)°, = 588.55(9) Å3, Z = 2. The crystal structure was solved by direct methods using single-crystal X-ray diffraction data collected at room temperature and refined by full-matrix least-squares procedure with a final R-value of 0.0464 for 1432 observed reflections. The dihedral angle between the pyran ring and the pyrazole ring is 178.08(6)°, between the pyrazole ring and the benzene ring is 98.92(6)° and between the pyran ring and the benzene ring is 97.10(5)°. The molecules in the crystal are linked to an infinite two-dimensional network by N−H···N and C−H···π types of hydrogen bonds. Molecules are also reinforced by the π···π interaction between the pyrazole ring and the pyran ring, respectively.

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Sharma, N.; Karmakar, I.; Brahmachari, G.; Gupta, V. K. Crystal Structure of 6-Amino-3-Methyl-4-Phenyl-2,4-dihydropyrano[2,3-c]pyrazole-5-Carbonitrile. Eur. J. Chem. 2024, 15, 143-148.

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Supporting Agencies

University of Jammu, Jammu Tawi-180006, India

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