Publication:
Crystal Structure and Hirshfeld Surface Analysis of 4-(4-methyl­benz­yl)-6-phenyl­pyridazin-3(2H)-one

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Abstract

In this paper, we describe the synthesis of a new dihydro-2H-pyridazin-3-one derivative. The molecule, C<inf>18</inf>H<inf>16</inf>N<inf>2</inf>O, is not planar; the benzene and pyridazine rings are twisted with respect to each other, making a dihedral angle of 11.47(2)°, and the toluene ring is nearly perpendicular to the pyridazine ring, with a dihedral angle of 89.624(1)°. The molecular conformation is stabilized by weak intramolecular C-HN contacts. In the crystal, pairs of N-H O hydrogen bonds link the molecules into inversion dimers with an R 2 2(8) ring motif. The intermolecular interactions were investigated using Hirshfeld surface analysis and two-dimensional (2D) fingerprint plots, revealing that the most important contributions for the crystal packing are from HH (56.6%), HC/CH (22.6%), OH/HO (10.0%) and NC/CN (3.5%) interactions. © 2019 International Union of Crystallography. All rights reserved.

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Q3

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ACTA CRYSTALLOGRAPHICA SECTION E-Crystallographic Communications

Volume

75

Issue

Start Page

1352

End Page

1356

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