Two isostructural carbamates: the o-tolyl N-(pyridin-3-yl)carbamate and 2-bromophenyl N-(pyridin-3-yl)carbamate monohydrates

Acta Crystallographica Section E: Crystallographic Communications

John F. Gallagher¹  Pavle Mocilac¹ 

[1] School of Chemical Sciences, Dublin City University, Dublin 9, Ireland;

关键词: crystal structure;    carbamate;    hydrate;    hydrogen bonding;    isostructural;    pyridine;   

DOI  :  10.1107/S2056989015019556

来源: DOAJ

【 摘 要 】

The title carbamate monohydrates, C13H12N2O2·H2O and C12H9BrN2O2·H2O, form isomorphous crystals that are isostructural in their primary hydrogen-bonding modes. In both carbamates, the primary hydrogen bonding and aggregation involves cyclic amide–water–pyridine moieties as (N—H...O—H...N)2 dimers about inversion centres [as R44(14) rings], where the participation of strong hydrogen-bonding donors and acceptors is maximized. The remaining water–carbonyl O—H...O=C interaction extends the aggregation into two-dimensional planar sheets that stack parallel to the (100) plane. The Br derivative does not participate in halogen bonding. A weak intramolecular C—H...O hydrogen bond is observed in each compound.

【 授权许可】

Unknown