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N-(2-{[5-Bromo-2-(piperidin-1-yl)pyrimidin-4-yl]sulfan-yl}-4-meth-oxy-phen-yl)-2,4,6-trimethyl-benzene-sulfonamide.

ABSTRACT: In the title compound, C(25)H(29)BrN(4)O(3)S(2), the benzene rings bridged by the sulfonamide group are tilted relative to each other by 63.9 (1)° and the dihedral angle between the sulfur-bridged pyrimidine and benzene rings is 64.9 (1)°. The mol-ecular conformation is stabilized by a weak intra-molecular π-π stacking inter-action between the pyrimidine and the 2,4,6-trimethyl-benzene rings [centroid-centroid distance = 3.766 (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 and these dimers are further linked by C-H⋯O hydrogen bonds into chains propagating along [010].

SUBMITTER: Kumar M

PROVIDER: S-EPMC3435802 | biostudies-literature | 2012 Sep

REPOSITORIES: biostudies-literature

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N-(2-{[5-Bromo-2-(piperidin-1-yl)pyrimidin-4-yl]sulfan-yl}-4-meth-oxy-phen-yl)-2,4,6-trimethyl-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 20120825 Pt 9

In the title compound, C(25)H(29)BrN(4)O(3)S(2), the benzene rings bridged by the sulfonamide group are tilted relative to each other by 63.9 (1)° and the dihedral angle between the sulfur-bridged pyrimidine and benzene rings is 64.9 (1)°. The mol-ecular conformation is stabilized by a weak intra-molecular π-π stacking inter-action between the pyrimidine and the 2,4,6-trimethyl-benzene rings [centroid-centroid distance = 3.766 (2) Å]. The piperidine ring adopts a chair conformation. In the cryst ...[more]

PMID: 22969648

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

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