Crystal structure of (3,5-dibromo-2-hydroxyphenyl){1-[(naphthalen-1-yl)carbonyl]-1H-pyrazol-4-yl}methanone

In the title compound, C21H12Br2N2O3, a 1,4-diaroyl pyrazole derivative, the dihedral angles between the naphthalene ring system and the pyrazole ring, the pyrazole and benzene rings, and the naphthalene ring system and benzene ring are 50.0 (2), 51.1 (2) and 1.34 (16)°, respectively. The phenolic p...

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Bibliographic Details
Main Authors: Yoshinobu Ishikawa, Yuya Motohashi
Format: Article
Language:English
Published: International Union of Crystallography 2014-09-01
Series:Acta Crystallographica Section E
Subjects:
Online Access:http://scripts.iucr.org/cgi-bin/paper?S1600536814018601
Description
Summary:In the title compound, C21H12Br2N2O3, a 1,4-diaroyl pyrazole derivative, the dihedral angles between the naphthalene ring system and the pyrazole ring, the pyrazole and benzene rings, and the naphthalene ring system and benzene ring are 50.0 (2), 51.1 (2) and 1.34 (16)°, respectively. The phenolic proton forms an intramolecular O—H...O hydrogen bond with the adjacent carbonyl O atom. In the crystal, molecules are linked by C—H...O hydrogen bonds, forming inversion dimers. The dimers are linked by C—H...Br hydrogen bonds, forming double stranded chains along [01-1]. The chains are linked by π–π interactions between the pyrazole rings and between the naphthalene and benzene rings [centroid–centroid distances = 3.592 (4) and 3.632 (4) Å, respectively].
ISSN:1600-5368