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

ABSTRACT: In the title compound, C(22)H(23)BrN(4)O(4)S(2), the benzene rings bridged by the sulfonamide group are tilted relative to each other by 68.9?(1)° and the dihedral angle between the sulfur-bridged pyrimidine and benzene rings is 69.7?(1)°. The mol-ecular conformation is stabilized by a weak intra-molecular ?-? stacking inter-action between the pyrimidine and the 4-methylbenzene rings [centroid-centroid distance = 3.934?(2)?Å]. The morpholine ring adopts a chair conformation and is disordered over two positions with an occupancy ratio of 0.853?(6):0.147?(6). In the crystal, mol-ecules are linked by N-H?O hydrogen bonds into chains extending along the a axis and further, through C-H?N and C-H?O inter-actions, into a three-dimensional supramolecular structure.

SUBMITTER: Kant R

PROVIDER: S-EPMC3415028 | biostudies-literature | 2012 Aug

REPOSITORIES: biostudies-literature

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

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

Acta crystallographica. Section E, Structure reports online 20120728 Pt 8

In the title compound, C(22)H(23)BrN(4)O(4)S(2), the benzene rings bridged by the sulfonamide group are tilted relative to each other by 68.9 (1)° and the dihedral angle between the sulfur-bridged pyrimidine and benzene rings is 69.7 (1)°. The mol-ecular conformation is stabilized by a weak intra-molecular π-π stacking inter-action between the pyrimidine and the 4-methylbenzene rings [centroid-centroid distance = 3.934 (2) Å]. The morpholine ring adopts a chair conformation and is disordered ove ...[more]

PMID: 22905015

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

Project description:In the title compound, C(21)H(20)BrClN(4)O(4)S(2), the benzene rings bridged by the sulfonamide group are tilted relative to each other by a dihedral angle of 70.2 (1)° and the dihedral angle between the sulfur-bridged pyrimidine and benzene rings is 69.5 (1)°. The mol-ecular conformation is stabilized by a weak intra-molecular π-π stacking inter-action between the pyrimidine and the 4-chloro-benzene rings [centroid-centroid distance = 3.978 (2) Å]. The morpholine ring adopts a chair conformation. In the crystal, mol-ecules are linked into inversion dimers by pairs of C-H⋯N hydrogen bonds and these dimers are further connected by N-H⋯O hydrogen bonds, forming a tape along the a axis.

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N-(4-Meth-oxy-phen-yl)benzene-sulfonamide.

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Project description:In the title compound, C(13)H(12)ClNO(3)S, the dihedral angle between the two aromatic rings is 73.94?(9)°. An intra-molecular C-H?O hydrogen bond occurs. In the crystal, inter-molecular N-H?O hydrogen bonds connect the mol-ecules to centrosymmetric dimers, forming an R(2) (2)(8) ring motif. The packing is consolidated by C-H?O hydrogen bonds and weak ?-? inter-actions [centroid-centroid distances = 3.81?(3) and 3.81?(3)?Å].

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N-(2-Meth-oxy-phen-yl)-4-methyl-benzene-sulfonamide.

Project description:In the title compound, C(14)H(15)NO(3)S, the geometry around the S atom of the SO(2) group is distorted tetra-hedral. The meth-oxy- and methyl-substituted aromatic rings are oriented at a dihedral angle of 71.39?(9)°. Inter-molecular N-H?O hydrogen bonds form inversion dimers, which stabilize the crystal structure.

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