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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:The title compound, C(18)H(16)N(2)O, is a new dihydro-pyridazin-3(2H)-one derivative synthesized in one step by condensation of α-benzyl-idene-γ-tolyl-butenolide with hydrazine. The mol-ecule is not planar; the tolyl and pyridazine rings are twisted with respect to each other making a dihedral angle of 27.35 (9)° and the benzyl ring is nearly perpendicular to the pyridazine ring with a dihedral angle of 85.24 (5)°. In the crystal structure, inversion dimers arise, being linked by pairs of N-H⋯O hydrogen bonds. Weak C-H⋯O hydrogen bonds and weak offset π-π stacking stabilize the packing. The π-π stacking occurs between the pyridazine rings of symmetry-related mol-ecules, with a centroid-centroid distance of 3.748 Å, an inter-planar distance of 3.605 Å and a slippage of 1.024 Å.

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5-[(tert-Butyl-diphenyl-sil-yloxy)meth-yl]pyridazin-3(2H)-one.

Project description:In the title compound, C21H24N2O2Si, a new pyridazin-3(2H)-one derivative, the carbonyl group of the heterocyclic ring and the O atom of the silyl ether are located on the same side of the pyridazinone ring and the C-C-O-Si torsion angle is -140.69?(17)°. In the crystal, mol-ecules are linked by pairs of strong N-H?O hydrogen bonds into centrosymmetric dimers with graph-set notation R 2 (2)(8). Weak C-H?? inter-actions are also observed.

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4,5-Dichloro-2H-1,3-oxazine-2,6(3H)-dione.

Project description:In the title compound, C(4)HCl(2)NO(3), the essentially planar (maximum deviation = 0.023?Å for the ring O atom) mol-ecules form N-H?O hydrogen bonds between mol-ecules lying about inversion centers, forming eight-membered rings with an R(2) (2)(8) motif in graph-set notation.

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Crystal structure and Hirshfeld surface analysis of (E)-6-(4-hy-droxy-3-meth-oxy-styr-yl)-4,5-di-hydro-pyridazin-3(2H)-one.

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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