The crystal structure of 2-[5-(dimethylamino)naphthalene-1-sulfonamido]phenyl 5-(dimethylamino)naphthalene-1-sulfonate

Abstract

The complete mol­ecule 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 intra­molecular C—H⋯O hydrogen bond closes an S(6) ring. In the crystal, the mol­ecules are linked by weak C—H⋯O hydrogen bonds.

5-Methyl-1,3-phenylene bis[5-(dimethylamino)naphthalene-1-sulfonate]: crystal structure and DFT calculations

“…refcode NUQDOU;Chainok et al, 2015), there are two dansyl units connecting to the amine and hydroxyl groups of a 2-aminophenol, while weak C-HÁ Á ÁO hydrogen bonds stabilize the crystal structure. In N-cyclododecyl-5-(dimethylamino)naphthalene-1-sulfonamide (HODDOU;Fischer et al, 2008) a cyclododecylamine linked to the dansyl substituent adopts a U-shaped conformation, and the crystal packing is stabilized by N-HÁ Á ÁO hydrogen bonds and C-HÁ Á Á interactions between neighbouring molecules.…”