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4-(4-Bromo-phen-yl)-3-methyl-1-phenyl-6,7-dihydro-1H-pyrazolo-[3,4-b]thieno[2,3-e]pyridine 5,5-dioxide.

ABSTRACT: In the title compound, C(21)H(16)BrN(3)O(2)S, the pyrazole and pyridine rings are nearly coplanar, the dihedral angle between their planes being 3.17?(14)°. The 2,3-dihydro-thio-phene ring adopts an envelope conformation. The 4-bromo-phen-yl/pyridine ring and phen-yl/pyrazole rings form dihedral angles of 60.06?(9) and 33.49?(11)°, respectively. There is an intra-molecular C-H?N hydrogen bond. The crystal packing is stabilized by inter-molecular C-H?O hydrogen bonding and C-H?? inter-actions.

SUBMITTER: Li T 

PROVIDER: S-EPMC3238837 | biostudies-other | 2011 Dec

REPOSITORIES: biostudies-other

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4-(4-Bromo-phen-yl)-3-methyl-1-phenyl-6,7-dihydro-1H-pyrazolo-[3,4-b]thieno[2,3-e]pyridine 5,5-dioxide.

Li Tuanjie T   Zhang Honghong H  

Acta crystallographica. Section E, Structure reports online 20111105 Pt 12

In the title compound, C(21)H(16)BrN(3)O(2)S, the pyrazole and pyridine rings are nearly coplanar, the dihedral angle between their planes being 3.17 (14)°. The 2,3-dihydro-thio-phene ring adopts an envelope conformation. The 4-bromo-phen-yl/pyridine ring and phen-yl/pyrazole rings form dihedral angles of 60.06 (9) and 33.49 (11)°, respectively. There is an intra-molecular C-H⋯N hydrogen bond. The crystal packing is stabilized by inter-molecular C-H⋯O hydrogen bonding and C-H⋯π inter-actions. ...[more]

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