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

Autor: Pavle Mocilac, John F. Gallagher
Jazyk: angličtina
Rok vydání: 2015
Předmět:
Zdroj: Acta Crystallographica Section E: Crystallographic Communications, Vol 71, Iss 11, Pp 1366-1370 (2015)
Druh dokumentu: article
ISSN: 2056-9890
20569890
DOI: 10.1107/S2056989015019556
Popis: 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.
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