In:
Acta Crystallographica Section E Crystallographic Communications, International Union of Crystallography (IUCr), Vol. 75, No. 11 ( 2019-11-01), p. 1679-1684
Abstract:
The asymmetric units of the title compounds both contain one nonplanar molecule. In 4-benzyl-6-phenyl-4,5-dihydropyridazin-3(2 H )-one, C 17 H 14 N 2 O, ( I ), the phenyl and pyridazine rings are twisted with respect to each other, making a dihedral angle of 46.69 (9)°; the phenyl ring of the benzyl group is nearly perpendicular to the plane of the pyridazine ring, the dihedral angle being 78.31 (10)°. In methyl 2-[5-(2,6-dichlorobenzyl)-6-oxo-3-phenyl-1,4,5,6-tetrahydropyridazin-1-yl]acetate, C 20 H 16 Cl 2 N 2 O 3 , ( II ), the phenyl and pyridazine rings are twisted with respect to each other, making a dihedral angle of 21.76 (18)°, whereas the phenyl ring of the dichlorobenzyl group is inclined to the pyridazine ring by 79.61 (19)°. In the crystal structure of ( I ), pairs of N—H...O hydrogen bonds link the molecules into inversion dimers with an R 2 2 (8) ring motif. In the crystal structure of ( II ), C—H...O hydrogen bonds generate dimers with R 1 2 (7), R 2 2 (16) and R 2 2 (18) ring motifs. The Hirshfeld surface analyses of compound ( I ) suggests that the most significant contributions to the crystal packing are by H...H (48.2%), C...H/H...C (29.9%) and O...H/H...O (8.9%) contacts. For compound ( II ), H...H (34.4%), C...H/H...C (21.3%) and O...H/H...O (16.5%) interactions are the most important contributions.
Type of Medium:
Online Resource
ISSN:
2056-9890
DOI:
10.1107/S2056989019013707
DOI:
10.1107/S2056989019013707/wm5515sup1.cif
DOI:
10.1107/S2056989019013707/wm5515Isup4.hkl
DOI:
10.1107/S2056989019013707/wm5515IIsup5.hkl
DOI:
10.1107/S2056989019013707/wm5515Isup4.cml
DOI:
10.1107/S2056989019013707/wm5515IIsup5.cml
Language:
Unknown
Publisher:
International Union of Crystallography (IUCr)
Publication Date:
2019
detail.hit.zdb_id:
2843762-7
detail.hit.zdb_id:
2041947-8
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