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2-(Thio-phen-2-yl)ethyl 4-methyl-benzene-sulfonate.

ABSTRACT: In the title mol-ecule, C(13)H(14)O(3)S(2), the thio-phene and benzene rings form a dihedral angle of 13.86 (13)°. In the crystal, weak inter-molecular C-H⋯O hydrogen bonds link the mol-ecules into layers parallel to the ab plane.

SUBMITTER: Liang YS

PROVIDER: S-EPMC3151917 | biostudies-literature |

REPOSITORIES: biostudies-literature

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2-(1,3-Dioxoisoindolin-2-yl)ethyl 4-methyl-benzene-sulfonate.

Project description:In the title mol-ecule, C(17)H(15)NO(5)S, the dihedral angle between the essentially planar atoms of the tosyl moiety (the S atom and the seven tolyl C atoms) and the phthalimide moiety is 6.089 (3)°. The mol-ecule is folded about the ethyl-ene bridge, adopting a staggered conformation such that the benzene ring of the tosyl group and the five-membered ring of the phthalimide moiety have a face-to-face orientation with a centroid-to-centroid separation of 3.7454 (12) Å. The crystal structure is stabilized by weak inter-molecular π-π inter-actions between symmetry-related five-membered rings of the phthalimide groups, with a centroid-to-centroid distance of 3.3867 (11) Å. The compound is used for the attachment of a suitable chelate functionality for radiolabeling purposes.

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5-Methyl-1-[(4-methyl-phen-yl)sulfon-yl]-1H-pyrazol-3-yl 4-methyl-benzene-sulfonate.

Project description:In the title compound, C(18)H(18)N(2)O(5)S(2), the tolyl rings are oriented at a dihedral angle of 16.15 (11)° with respect to one another. The 5-methyl-1H-pyrazol-3-ol ring is roughly planar (r.m.s. deviation = 0.0231 Å) and subtends angles of 73.82 (8) and 89.85 (8)° with the tolyl rings. In the crystal, very weak π-π inter-actions between tolyl groups, with centroid-centroid distances of 4.1364 (19) and 4.0630 (16) Å, together with a C-H⋯π contact generate a three-dimensional network.

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N-Ethyl-N-(4-methyl-phen-yl)benzene-sulfonamide.

Project description:The title compound, C(15)H(17)NO(2)S, is twisted at the S-N bond with a C-S-N-C torsion angle of 73.90?(14)°. The dihedral angle between the aromatic rings is 36.76?(11)°.

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1,3-Bis{[(4-methyl-phen-yl)sulfon-yl]-oxy}propan-2-yl 4-methyl-benzene-sulfonate.

Project description:In the title sulfonate derivative, C(24)H(26)O(9)S(3), all atoms apart from those of one of the 4-methyl-benzene-sulfonate residues lie approximately in a disc; the dihedral angles between the approximately orthogonal benzene ring and those in the plane are 74.53 (9) and 67.79 (11)°. In the crystal, mol-ecules are consolidated into the three-dimensional architecture by C-H⋯O inter-actions. One of the 4-methyl-benzene-sulfonate residues is disordered over two almost parallel positions; the major component refined to a site-occupancy factor of 0.918 (2).

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N-Ethyl-4-methyl-N-(3-methyl-phen-yl)benzene-sulfonamide.

Project description:The title compound, C(16)H(19)NO(2)S, crystallizes with two crystallographically independent mol-ecules in the asymmetric unit in which the dihedral angles between the planes defined by the aromatic rings are 35.3?(2) and 42.5?(2)°. In the crystal, inter-molecular C-H?O hydrogen bonds stabilize the packing.

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Project description:The title mol-ecule, C(26)H(30)O(9)S(3), adopts an extended conformation whereby two approximately parallel benzene rings [dihedral angle = 8.32?(10)°] are orientated in opposite directions along the pseudo-threefold axis through the central quaternary C atom, while a third ring occupies a position mid-way and face-on to these rings [dihedral angles = 82.28?(10) and 78.81?(7)°]. The crystal packing is dominated by C-H?O contacts and ?-? inter-actions [ring centroid distance = 3.6902?(12)?Å].

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Project description:In the title compound, C(20)H(24)FNO(3)S, the piperidine ring adopts a chair conformation. The dihedral angle between the aromatic rings is 47.01 (17)°.

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Project description:In the crystal structure of the title compound, C(9)H(9)F(3)O(3)S, inter-molecular C-H?O hydrogen bonds link the mol-ecules along the c-axis direction. Also present are slipped ?-? stacking inter-actions between phenyl-ene rings, with perpendicular inter-planar distances of 3.55?(2)?Å and centroid-centroid distances of 3.851?(2)?Å.

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2-{4-Methyl-N-[(2,3,4,9-tetra-hydro-1H-carbazol-3-yl)meth-yl]benzene-sulfon-amido}-ethyl 4-methyl-benzene-sulfonate.

Project description:In the title compound, C29H32N2O5S2, the indole ring system is nearly planar, with a maximum deviation of 0.013?(2)?Å, and the cyclo-hexenone ring has an envelope conformation with the methine C atom as the flap. The two methyl-benzene rings are approximately perpendicular to each other, making a dihedral angle of 89.09?(8)°. In the crystal, N-H?O hydrogen bonds link the mol-ecules into a chain running along the a-axis direction, and weak C-H?O hydrogen bonds and C-H?? inter-actions are observed between the chains.

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2-Ethyl-6-methyl-anilinium 4-methyl-benzene-sulfonate.

Project description:The title compound, C(9)H(14)N(+)·C(7)H(7)SO(3) (-), contains a 2-ethyl-6-methyl-anilinium cation and a 4-methyl-benzene-sulfonic anion. The cations are anchored between the anions through N-H?O hydrogen bonds. Electrostatic and van der Waals inter-actions, as well as hydrogen bonds, maintain the structural cohesion.

| S-EPMC2968236 | biostudies-literature

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