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2,4-Di­nitro­phenyl 4-toluene­sulfonate: molecular aggregation through weak C—H⋯O interactions

✍ Scribed by Vembu, Nagarajan ;Nallu, Maruthai ;Garrison, Jered ;Youngs, Wiley J.

Publisher
International Union of Crystallography
Year
2003
Tongue
English
Weight
254 KB
Volume
59
Category
Article
ISSN
1600-5368

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✦ Synopsis

Single-crystal X-ray study T = 100 K Mean '(C±C) = 0.002 A Ê R factor = 0.030 wR factor = 0.087 Data-to-parameter ratio = 12.8

For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e.

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In the crystal structure of the title compound, C 13 H 12 O 3 S, the dihedral angle between the mean planes of the 4-tolyl and phenyl rings is 52.6 (1) . There are weak C-HÁ Á ÁO hydrogen bonds, which generate rings of graph-set motifs R 1 2 (4) and R 2 1 (9). The supramolecular aggregation is compl

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Single-crystal X-ray study T = 150 K Mean '(C±C) = 0.002 A Ê R factor = 0.037 wR factor = 0.091 Data-to-parameter ratio = 35.0 For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e.