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The crystal structure of 2-[5-(di-methyl-amino)-naphthalene-1-sulfonamido]-phenyl 5-(di-methyl-amino)-naphthalene-1-sulfonate.

ABSTRACT: The complete mol-ecule of the title compound, C30H29N3O5S2, is generated by a crystallographic twofold axis: the O atom and NH group attached to the central benzene ring are statistically disordered. The dihedral angle between the naphthalene ring system and the central benzene ring is 52.99?(6)°, while the pendant naphthalene ring systems subtend a dihedral angle of 68.17?(4)°. An intra-molecular C-H?O hydrogen bond closes an S(6) ring. In the crystal, the mol-ecules are linked by weak C-H?O hydrogen bonds.

SUBMITTER: Chainok K

PROVIDER: S-EPMC4647440 | biostudies-literature | 2015 Oct

REPOSITORIES: biostudies-literature

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The crystal structure of 2-[5-(di-methyl-amino)-naphthalene-1-sulfonamido]-phenyl 5-(di-methyl-amino)-naphthalene-1-sulfonate.

Chainok Kittipong K Duangthongyou Tanwawan T Tuntulani Thawatchai T Chuenka Apinya A Wannalerse Boontana B

Acta crystallographica. Section E, Crystallographic communications 20150912 Pt 10

The complete mol-ecule of the title compound, C30H29N3O5S2, is generated by a crystallographic twofold axis: the O atom and NH group attached to the central benzene ring are statistically disordered. The dihedral angle between the naphthalene ring system and the central benzene ring is 52.99 (6)°, while the pendant naphthalene ring systems subtend a dihedral angle of 68.17 (4)°. An intra-molecular C-H⋯O hydrogen bond closes an S(6) ring. In the crystal, the mol-ecules are linked by weak C-H⋯O hy ...[more]

PMID: 26594442

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5-Methyl-1,3-phenyl-ene bis-[5-(di-methyl-amino)-naphthalene-1-sulfonate]: crystal structure and DFT calculations.

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