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4-(5-Phenyl-3-trifluoro-meth-yl-1H-pyrazol-1--yl)benzene-sulfonamide.

ABSTRACT: Significant twists between the aromatic rings are evident in the structure of the title compound, C(16)H(12)F(3)N(3)O(2)S. With reference to the pyrazole plane, the N- and C-bound benzene rings form dihedral angles of 57.12?(11) and 29.75?(11)°, respectively. The dihedral angle between the benzene rings is 52.82?(11)°. The presence of N-H?O(sulfonamide) and N-H?N(pyrazole) hydrogen bonds lead to supra-molecular tubes along the b-axis direction. These are connected into layers via C-H?O inter-actions involving a bifurcated O atom (not involved in the N-H?O hydrogen bonding). Layers stack along the a-axis direction.

SUBMITTER: Asiri AM

PROVIDER: S-EPMC3200877 | biostudies-other | 2011 Sep

REPOSITORIES: biostudies-other

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4-(5-Phenyl-3-trifluoro-meth-yl-1H-pyrazol-1--yl)benzene-sulfonamide.

Asiri Abdullah M AM Al-Youbi Abdulrahman O AO Faidallah Hassan M HM Ng Seik Weng SW Tiekink Edward R T ER

Acta crystallographica. Section E, Structure reports online 20110827 Pt 9

Significant twists between the aromatic rings are evident in the structure of the title compound, C(16)H(12)F(3)N(3)O(2)S. With reference to the pyrazole plane, the N- and C-bound benzene rings form dihedral angles of 57.12 (11) and 29.75 (11)°, respectively. The dihedral angle between the benzene rings is 52.82 (11)°. The presence of N-H⋯O(sulfonamide) and N-H⋯N(pyrazole) hydrogen bonds lead to supra-molecular tubes along the b-axis direction. These are connected into layers via C-H⋯O inter-act ...[more]

PMID: 22059006

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