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N-(2-{[5-Bromo-2-(piperidin-1-yl)pyrimidin-4-yl]sulfan-yl}-4-meth-oxy-phen-yl)-4-methyl-benzene-sulfonamide.

ABSTRACT: In the title compound, C(23)H(25)BrN(4)O(3)S(2), the benzene rings bridged by the sulfonamide group are tilted relative to each other by 69.7?(1)° and the dihedral angle between the sulfur-bridged pyrimidine and benzene rings is 70.4?(1)°. The mol-ecular conformation is stabilized by a weak intra-molecular ?-? stacking inter-action between the pyrimidine and the 4-methyl benzene rings [centroid-centroid distance = 3.633?(2)?Å]. The piperidine ring adopts a chair conformation. In the crystal, mol-ecules are linked into inversion dimers by pairs of N-H?O hydrogen bonds.

SUBMITTER: Kumar M

PROVIDER: S-EPMC3470193 | biostudies-other | 2012 Oct

REPOSITORIES: biostudies-other

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N-(2-{[5-Bromo-2-(piperidin-1-yl)pyrimidin-4-yl]sulfan-yl}-4-meth-oxy-phen-yl)-4-methyl-benzene-sulfonamide.

Kumar Mohan M Mallesha L L Sridhar M A MA Kapoor Kamini K Gupta Vivek K VK Kant Rajni R

Acta crystallographica. Section E, Structure reports online 20120901 Pt 10

In the title compound, C(23)H(25)BrN(4)O(3)S(2), the benzene rings bridged by the sulfonamide group are tilted relative to each other by 69.7 (1)° and the dihedral angle between the sulfur-bridged pyrimidine and benzene rings is 70.4 (1)°. The mol-ecular conformation is stabilized by a weak intra-molecular π-π stacking inter-action between the pyrimidine and the 4-methyl benzene rings [centroid-centroid distance = 3.633 (2) Å]. The piperidine ring adopts a chair conformation. In the crystal, mol ...[more]

PMID: 23125637

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