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Acetic anhydride at 100 K: the first crystal structure determination
Author(s) -
Seidel Rüdiger W.,
Goddard Richard,
Nöthling Nils,
Lehmann Christian W.
Publication year - 2016
Publication title -
acta crystallographica section c
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.304
H-Index - 17
ISSN - 2053-2296
DOI - 10.1107/s2053229616015047
Subject(s) - acetic anhydride , crystal structure , materials science , chemistry , crystallography , organic chemistry , catalysis
Acetic anhydride (ethanoic anhydride), (CH 3 CO) 2 O, is a widely used acetylation reagent in organic synthesis. The crystal and molecular structure, as determined by single‐crystal X‐ray analysis at 100 K, is reported for the first time. A crystal of the title compound (m.p. 200 K) suitable for X‐ray diffraction was grown from the melt at low temperature. The title compound crystallizes in the orthorhombic space group Pbcn , with Z = 4. In the crystal, the molecule adopts an exact C 2 ‐symmetric conformation about a crystallographic twofold axis. The molecules are densely packed. Two of the methyl H atoms form short intermolecular contacts to a neighbouring carbonyl O atom, which can be viewed as weak hydrogen bonds.