Single-crystal X-ray study T = 150 K Mean (C-C) = 0.001 A Disorder in main residue R factor = 0.037 wR factor = 0.111 Data-to-parameter ratio = 19.2 For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e.
2-Acetoxy-6-methylbenzoic acid
โ Scribed by Fronczek, F. R. ;Merrill, M. L. ;Gandour, R. D.
- Book ID
- 114528448
- Publisher
- International Union of Crystallography
- Year
- 1982
- Weight
- 324 KB
- Volume
- 38
- Category
- Article
- ISSN
- 0567-7408
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The title compound, C~8~H~8~N~2~S, crystallizes with two almost identical molecules in the asymmetric unit. In the crystal structure, it is remarkable that only three of the four amino H atoms form classical hydrogen bonds. The fourth H atom is involved in an NโH...ฯ interaction.