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

Mocilac, Pavle and Gallagher, John F. (2015) 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 , E71 . pp. 1366-1370. ISSN 2056-9890

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Abstract

The title carbamate monohydrates, C13H12N2O2.H2O and C12H9BrN2O2.H2O, form isomorphous crystals that are isostructural in their primary hydrogenbonding 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 R4 4(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.

Item Type:Article (Published)
Refereed:Yes
Uncontrolled Keywords:crystal structure; carbamate; hydrate; hydrogen bonding; isostructural; pyridine
Subjects:Physical Sciences > Chemistry
Physical Sciences > Crystallography
DCU Faculties and Centres:DCU Faculties and Schools > Faculty of Science and Health > School of Chemical Sciences
Publisher:Wiley-Blackwell Publishing, Inc.
Official URL:http://dx.doi.org/10.1107/S2056989015019556
Copyright Information:© 2015 Wiley-Blackwell Publishing, Inc.
Use License:This item is licensed under a Creative Commons Attribution-NonCommercial-Share Alike 3.0 License. View License
ID Code:21725
Deposited On:10 Mar 2017 12:12 by Thomas Murtagh. Last Modified 10 Mar 2017 12:12

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