Single-crystal X-ray study T = 100 K Mean '(C±C) = 0.003 A Ê R factor = 0.072 wR factor = 0.155 Data-to-parameter ratio = 12.5 For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e.
3-Carboxypyridine N-oxide: supramolecular aggregation through O—H⋯O and C—H⋯O interactions
✍ Scribed by Du, Miao ;Zhao, Xiao-Jun
- Publisher
- International Union of Crystallography
- Year
- 2003
- Tongue
- English
- Weight
- 335 KB
- Volume
- 59
- Category
- Article
- ISSN
- 1600-5368
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📜 SIMILAR VOLUMES
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.
In the title compound, C 7 H 7 IN 2 O 2 , the dihedral angle between the mean planes of the benzene ring and the hydroxamic acid group is 39.12 ( 14) . The molecules are linked via N-HÁ Á ÁO, O-HÁ Á ÁN and C-HÁ Á ÁO interactions, forming two-dimensional layers parallel to (100) in the crystal struct
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.
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