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

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

The title compound, C31H30N2S2O6, possesses crystallographically imposed twofold symmetry with the two C atoms of the central benzene ring and the C atom of its methyl substituent lying on the twofold rotation axis. The two dansyl groups are twisted away from the plane of methylphenyl bridging unit...

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Bibliographic Details
Main Authors: Tanwawan Duangthongyou, Ramida Rattanakam, Kittipong Chainok, Songwut Suramitr, Thawatchai Tuntulani, Boontana Wannalerse
Format: Article
Language:English
Published: International Union of Crystallography 2019-07-01
Series:Acta Crystallographica Section E: Crystallographic Communications
Subjects:
crystal structure
dansyl unit
3,5-dihydroxytoluene
hydrogen bonds
DFT calculations
Online Access:http://scripts.iucr.org/cgi-bin/paper?S2056989019009058

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http://scripts.iucr.org/cgi-bin/paper?S2056989019009058

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