1.
Acta Crystallogr E Crystallogr Commun
; 78(Pt 10): 1072-1076, 2022 Oct 01.
Artigo
em Inglês
| MEDLINE
| ID: mdl-36250123
RESUMO
This article reports a practical synthesis of tert-butyl acetyl-carbamate, C7H13NO3, from N-Boc-thio-acetamide and the study of its crystal structure. The reaction proceeds in the presence of natural phosphate as a catalyst, with excellent yield, simple workup and benign environment. The crystal structure was refined using a transferred multipolar atom model. In the crystal, symmetrical pairs of strong N-Hâ¯O hydrogen bonds connect the mol-ecules into dimers with an R 2 2(8) ring motif. The inter-actions between neighbouring dimers are mostly van der Waals, between hydro-phobic methyl groups. Hirshfeld surface analysis shows the major contributions to the crystal packing are from Hâ¯H (42.6%) and Oâ¯H (26.7%) contacts.