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Methyl 4-{[6-(4-bromo-phen-yl)-3-oxo-2,3,4,5-tetra-hydro-pyridazin-4-yl]methyl}benzoate.


ABSTRACT: The structure of the title compound, C(19)H(17)BrN(2)O(3), consists of two cyclic groups, viz. 4-(meth-oxy-carbon-yl)phenyl and 6-(4-bromo-phen-yl)-3-oxo-2,3,4,5-dihydro-pyridazin-4-yl, which are linked by a methyl-ene spacer. The pyridazine ring is twisted and the dihedral angle between its mean plane and that of the bromo-phenyl mean plane is 17.2 (2)°. The 4-(meth-oxy-carbon-yl)phenyl group shows a quasi-planar conformation, where the dihedral angle between the mean planes of the phenyl ring and carboxyl-ate ester group is 7.9 (4)°. Centrosymmetric inter-molecular N-H⋯O hydrogen bonds form dimers. These are linked by C-Br⋯O=C inter-actions [Br⋯O = 3.10 (1) Å] to form a one-dimensional polymeric structure running along the [1[Formula: see text]0] direction.

SUBMITTER: Bortoluzzi AJ 

PROVIDER: S-EPMC3089372 | biostudies-literature | 2011 May

REPOSITORIES: biostudies-literature

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Methyl 4-{[6-(4-bromo-phen-yl)-3-oxo-2,3,4,5-tetra-hydro-pyridazin-4-yl]methyl}benzoate.

Bortoluzzi Adailton J AJ   Souza Luciana B P LB   Joussef Antônio C AC   Meyer Emerson E  

Acta crystallographica. Section E, Structure reports online 20110429 Pt 5


The structure of the title compound, C(19)H(17)BrN(2)O(3), consists of two cyclic groups, viz. 4-(meth-oxy-carbon-yl)phenyl and 6-(4-bromo-phen-yl)-3-oxo-2,3,4,5-dihydro-pyridazin-4-yl, which are linked by a methyl-ene spacer. The pyridazine ring is twisted and the dihedral angle between its mean plane and that of the bromo-phenyl mean plane is 17.2 (2)°. The 4-(meth-oxy-carbon-yl)phenyl group shows a quasi-planar conformation, where the dihedral angle between the mean planes of the phenyl ring  ...[more]

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