4-Dimethylaminopyridinium 2,4-dinitrophenolate: supramolecular aggregation through N—H⋯O, C—H⋯O, C—H⋯π and π–π interactions
✍ Scribed by Vembu, Nagarajan ;Nallu, Maruthai ;Spencer, Elinor C. ;Howard, Judith A. K.
- Publisher
- International Union of Crystallography
- Year
- 2003
- Tongue
- English
- Weight
- 517 KB
- Volume
- 59
- Category
- Article
- ISSN
- 1600-5368
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✦ Synopsis
ÁC 6 H 3 N 2 O 5 À , there are NÐHÁ Á ÁO and CÐHÁ Á ÁO interactions which generate rings of motifs S(5), D, D 2 1 (4), R 1 2 (7), R 1 2 (5), R 2 1 (6), R 2 2 (10) and R 2 2 ( 14). The supramolecular aggregation is completed by the presence of CÐHÁ Á Á% and %±% interactions.
📜 SIMILAR VOLUMES
In the crystal structure of the title molecule, C 13 H 10 Cl 2 O 3 S, the dihedral angle between the mean planes of the 4-tolyl and 2,4dichlorophenyl rings is 43.92 (4) . There are weak CÐHÁ Á ÁO hydrogen bonds, which generate rings of motifs S(5), S(6), R 2 1 (4), R 1 2 (6) and R 2 2 (8). The supra
Single-crystal X-ray study T = 120 K Mean '(C±C) = 0.004 A Ê R factor = 0.047 wR factor = 0.112 Data-to-parameter ratio = 17.0 For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e.
Single-crystal X-ray study T = 100 K Mean '(C±C) = 0.003 A Ê R factor = 0.058 wR factor = 0.128 Data-to-parameter ratio = 13.0 For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e.