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4-(3,7-Dimethyl-4-oxo-4,5-dihydro-isoxazolo[4,5-d]pyridazin-5-yl)benzene-sulfonamide.

ABSTRACT: The nine-membered fused-ring system of the title pyridazine derivative, C(13)H(12)N(4)O(4)S, is approximately planar (r.m.s. deviation 0.027 Å), and the benzene ring of the phenyl-sulfamide substituent is aligned at 43.5 (1)° to the fused-ring system. The amine group of the sulfonamide substituent forms an N-H⋯O hydrogen bond to the ketonic O atom of two neigboring mol-ecules to generate a chain running along the c axis.

SUBMITTER: Asiri AM

PROVIDER: S-EPMC3200922 | biostudies-literature |

REPOSITORIES: biostudies-literature

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Project description:The thia-zole-pyridazine fused-ring system of the title compound, C(13)H(12)N(4)O(3)S(2), is approximately planar (r.m.s. deviation = 0.037?Å); the benzene ring connected to the fused-ring system through the N atom is twisted by 39.3?(1)°. The amine group uses an H atom to form a hydrogen bond to the ketonic O atom of an inversion-related mol-ecule to generate a dimer; adjacent dimers are linked by an N-H?O hydrogen bond to form a linear chain.

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4-[3,4-Dimethyl-1-(4-methyl-phen-yl)-5-oxo-4,5-dihydro-1H-pyrazol-4-yl]-3,4-dimethyl-1-(4-methyl-phen-yl)-4,5-dihydro-1H-pyrazol-5-one.

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N-(3,5-Dimethyl-phen-yl)-2,4-dimethyl-benzene-sulfonamide.

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N-(2,4-Dimethyl-phen-yl)-2,4-dimethyl-benzene-sulfonamide.

Project description:In the crystal structure of the title compound, C(16)H(19)NO(2)S, the mol-ecule is bent at the S atom with a C-SO(2)-NH-C torsion angle of 66.5?(2)°. The dihedral angle between the sulfonyl and aniline benzene rings in the mol-ecule is 41.0?(1)°. The crystal structure features inversion dimers linked by pairs of N-H?O hydrogen bonds.

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