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Crystal structure of the co-crystal butylparaben–isonicotinamide (1/1)

Authors :
Rajni M. Bhardwaj
Huaiyu Yang
Alastair J. Florence
Source :
Acta Crystallographica Section E: Crystallographic Communications, Vol 72, Iss 1, Pp 53-55 (2016)
Publication Year :
2016
Publisher :
International Union of Crystallography, 2016.

Abstract

The title 1:1 co-crystal, C11H14O3·C6H6N2O [systematic name: butyl 4-hydroxybenzoate–isonicotinamide (1/1)], crystallizes with one molecule of butylparaben (BPN) and one molecule of isonicotinamide (ISN) in the asymmetric unit. In the crystal, BPN and ISN molecules form hydrogen-bonded (O—H...N and N—H...O) dimers of paired BPN and ISN molecules. These dimers are further connected to each other via N—H...O=C hydrogen bonds, creating ribbons in [011] which further stack along the a axis to form a layered structure with short C...C contacts of 3.285 (3) Å. Packing interactions within the crystal structure were assessed using PIXEL calculations.

Details

Language :
English
ISSN :
20569890
Volume :
72
Issue :
1
Database :
Directory of Open Access Journals
Journal :
Acta Crystallographica Section E: Crystallographic Communications
Publication Type :
Academic Journal
Accession number :
edsdoj.85f628bfb15d4ee4927cb79f7a714c83
Document Type :
article
Full Text :
https://doi.org/10.1107/S2056989015023518