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

Abstract

Crystal structure of the title compound C{sub 22}H{sub 19}N{sub 3}O is determined by single crystal X-ray diffraction (sp. gr. P2{sub 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.

Authors:
 [1];  [2];  [3]; ;  [2]
  1. Amasya University, Department of Physics, Faculty of Arts and Sciences (Turkey)
  2. Erciyes University, Department of Chemistry, Faculty of Sciences (Turkey)
  3. Ondokuz Mayıs University, Department of Physics, Faculty of Arts and Sciences (Turkey)
Publication Date:
OSTI Identifier:
22758303
Resource Type:
Journal Article
Journal Name:
Crystallography Reports
Additional Journal Information:
Journal Volume: 62; Journal Issue: 7; Other Information: Copyright (c) 2017 Pleiades Publishing, Inc.; Country of input: International Atomic Energy Agency (IAEA); Journal ID: ISSN 1063-7745
Country of Publication:
United States
Language:
English
Subject:
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY; 37 INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY; AMIDES; CRYSTAL STRUCTURE; HYDROGEN; HYDROGEN 1; INTERACTIONS; INTERMOLECULAR FORCES; MOLECULAR STRUCTURE; MOLECULES; MONOCRYSTALS; PYRAZOLES; RINGS; X-RAY DIFFRACTION

Citation Formats

Tanak, Hasan, İlhan, İlhan Özer, Dege, Necmi, Akın, Nazenin, and Sarıpınar, Emin. Crystal and Molecular Structure of 3,5-Diphenyl-4,5-dihydro-2-phenylcarboxamide-1H-pyrazole. United States: N. p., 2017. Web. doi:10.1134/S1063774517070276.
Tanak, Hasan, İlhan, İlhan Özer, Dege, Necmi, Akın, Nazenin, & Sarıpınar, Emin. Crystal and Molecular Structure of 3,5-Diphenyl-4,5-dihydro-2-phenylcarboxamide-1H-pyrazole. United States. doi:10.1134/S1063774517070276.
Tanak, Hasan, İlhan, İlhan Özer, Dege, Necmi, Akın, Nazenin, and Sarıpınar, Emin. Fri . "Crystal and Molecular Structure of 3,5-Diphenyl-4,5-dihydro-2-phenylcarboxamide-1H-pyrazole". United States. doi:10.1134/S1063774517070276.
@article{osti_22758303,
title = {Crystal and Molecular Structure of 3,5-Diphenyl-4,5-dihydro-2-phenylcarboxamide-1H-pyrazole},
author = {Tanak, Hasan and İlhan, İlhan Özer and Dege, Necmi and Akın, Nazenin and Sarıpınar, Emin},
abstractNote = {Crystal structure of the title compound C{sub 22}H{sub 19}N{sub 3}O is determined by single crystal X-ray diffraction (sp. gr. P2{sub 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.},
doi = {10.1134/S1063774517070276},
journal = {Crystallography Reports},
issn = {1063-7745},
number = 7,
volume = 62,
place = {United States},
year = {2017},
month = {12}
}