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3-Fluoro-4-nitro-phenyl 4-methyl-benzene-sulfonate.

ABSTRACT: In the title compound, C(13)H(10)FNO(5)S, the dihedral angle between the benzene rings is 47.63 (14)°. In the crystal, π-π stacking occurs between nearly parallel benzene rings of adjacent mol-ecules, the centroid-centroid distance being 3.7806 (16) Å. Weak inter-molecular C-H⋯O hydrogen bonding is also present in the crystal structure.

SUBMITTER: Ang W

PROVIDER: S-EPMC3099963 | biostudies-literature |

REPOSITORIES: biostudies-literature

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Crystal structure of 3,5-di-methyl-phenyl 2-nitro-benzene-sulfonate.

Project description:The title compound, C14H13NO5S, was synthesized via a nucleophilic substitution reaction between 3,5-di-methyl-phenol and 2-nitro-benzene-sulfonyl chloride. The aromatic rings attached to the SO3 group are oriented in a gauche fashion around the ester S-O bond, with a C-S-O-C torsion angle of 84.68?(11)°. The mol-ecules form centrosymmetric dimers via ?-? stacking inter-actions between 3,5-di-methyl-phenyl groups (centroid-centroid distance = 3.709?Å). An inter-molecular S=O?N inter-action between the sulfonyl and nitro groups, with an O?N distance of 2.9840?(18)?Å, organizes the dimers into columns extending along [011]. These columns are further assembled into (111) layers through C-H?O inter-actions.

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4-(4-Cyano-2-fluoro-phen-oxy)phenyl 4-methyl-benzene-sulfonate.

Project description:The title compound, C(20)H(14)FNO(4)S, was synthesized from hydro-quinone, p-toluene-sulfonyl chloride and 3,4-difluoro-benzonitrile. A folded conformation is adopted by the crystal structure. Inter-molecular C-H?N hydrogen bonds form dimers arranged around inversion centers.

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Project description:The complete mol-ecule of the title compound, C(20)H(19)NO(5)S(2), is generated by a crystallographic twofold axis and the O atom and N-H group attached to the central benzene ring are statistically disordered. The dihedral angle between the central and terminal benzene rings is 56.91 (5)° and that between the terminal benzene rings is 29.80 (5)°. In the crystal, N-H⋯O hydrogen bonding links the mol-ecules into sheets lying parallel to the ab plane.

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Project description:In the crystal structure of the title salt, C(6)H(7)FN(+)·C(7)H(7)O(3)S(-), the components are linked into chains along [010] via N-H?O hydrogen bonds. Further stabilization is is provided by weak ?-? stacking inter-actions, with a centroid-centroid distance of 3.7156?(12)?Å.

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Crystal structure of 2,4-di-nitro-phenyl 4-methyl-benzene-sulfonate: a new polymorph.

Project description:The title compound, C13H10N2O7S, was synthesized via a nucleophilic substitution reaction between 2,4-di-nitro-phenol and p-toluene-sulfonyl chloride. This crystal structure is a polymorph of CSD entry WUVYUH [Vembu et al. (2003). Acta Cryst, E59, o378-380]. The aromatic substituents on the sulfonate group are oriented gauche to one another with a C-O-S-C torsion angle of -62.0 (3)°. The supra-molecular features that contribute to the crystal stability are offset π-π [centroid-centroid distance = 3.729 (2) Å] and multiple C-H⋯O inter-actions.

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Project description:In the title mol-ecule, C(12)H(8)BrNO(5)S, the dihedral angle between the two benzene rings is 30.02?(7)°. The crystal structure is stabilized by weak C-H?O inter-actions.

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Project description:The title compound, C15H18NO3PS·C6H6, is a rare example of a crystallographically characterized exocyclic phosphiniminium-arene-sulfonate zwitterion, which crystallises as its benzene solvate. The crystal structure shows that the N atom is protonated and that the iminium H atom forms both intra- and inter-molecular hydrogen bonds to the single-bonded sulfonate O atom in an R 2 (2)(4) graph-set motif. The dihedral angle between the aromatic rings in the main molecule is 89.49?(8)°.

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