Crystal and Molecular Structure of 3,5-Diphenyl-4,5-dihydro-2-phenylcarboxamide-1H-pyrazole

• Published in: Crystallography reports Vol. 62; no. 7; pp. 1078 - 1082
• Main Authors: Tanak, Hasan, İlhan, İlhan Özer, Dege, Necmi, Akın, Nazenin, Sarıpınar, Emin
• Format: Journal Article
• Language: English
• Published: Moscow Pleiades Publishing 01-12-2017; Springer Nature B.V
• Subjects: AMIDES; Chemical bonds; CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY; CRYSTAL STRUCTURE; Crystallography and Scattering Methods; HYDROGEN; HYDROGEN 1; Hydrogen bonds; INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY; INTERACTIONS; INTERMOLECULAR FORCES; MOLECULAR STRUCTURE; MOLECULES; MONOCRYSTALS; Physics; Physics and Astronomy; Pyrazole; PYRAZOLES; RINGS; Single crystals; Structure of Organic Compounds; X-RAY DIFFRACTION
• ISSN: 1063-7745; 1562-689X
• DOI: 10.1134/S1063774517070276

Crystal structure of the title compound C
22
H
19
N
3
O is determined by single crystal X-ray diffraction (sp. gr.
P
2
1
/
c
,
Z
= 4). The molecule as a whole, is not planar: phenyl cycles are rotated relative to the plane of pyrazole ring. N−H···N intramolecular hydrogen bond forms five-membered ring fused to pyrazole ring. There are also intramolecular C−H···O and C−H···π interactions. Intermolecular C−H···O hydrogen bond links the molecules into a
C
(7) chain along the a axis. The crystal structure is stabilized also by C–H···π and π···π intermolecular hydrogen bonds.