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4,5-Dichloro-2-methyl-pyridazin-3(2H)-one.

ABSTRACT: The asymmetric unit of the title compound, C(5)H(4)Cl(2)N(2)O, contains one half-mol-ecule: all the non-H atoms lie on a crystallographic mirror plane. In the crystal structure, mol-ecules are linked into chains along the c axis by weak inter-molecular C-H⋯O hydrogen bonds.

SUBMITTER: Goh JH

PROVIDER: S-EPMC2971970 | biostudies-literature |

REPOSITORIES: biostudies-literature

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6-Methyl-2-phenyl-4,5-dihydro-pyridazin-3(2H)-one.

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Project description:In the title com-pound, C13H14N2O3, the dihydropyridazine ring (r.m.s. deviation = 0.166 Å) has a screw-boat conformation. The dihedral angle between its mean plane and the benzene ring is 0.77 (12)°. In the crystal, inter-molecular O-H⋯O hydrogen bonds generate C(5) chains and N-H⋯O hydrogen bonds produce R 2 2(8) motifs. These types of inter-actions lead to the formation of layers parallel to (12). The three-dimensional network is achieved by C-H⋯O inter-actions, including R 2 4(8) motifs. Inter-molecular inter-actions were additionally investigated using Hirshfeld surface analysis and two-dimensional fingerprint plots. The most significant contributions to the crystal packing are by H⋯H (43.3%), H⋯C/C⋯H (19.3%), H⋯O/H⋯O (22.6%), C⋯N/N⋯C (3.0%) and H⋯N/N⋯H (5.8%) contacts. C-H⋯π inter-actions and aromatic π-π stacking inter-actions are not observed.

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