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

ABSTRACT: 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 R 4 (4)(14) rings], where the participation of strong hydrogen-bonding donors and acceptors is maximized. The remaining water-carbonyl O-H?O=C inter-action 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 intra-molecular C-H?O hydrogen bond is observed in each compound.

SUBMITTER: Mocilac P 

PROVIDER: S-EPMC4645058 | biostudies-literature | 2015 Nov

REPOSITORIES: biostudies-literature