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

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...

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Main Authors:	Rajni M. Bhardwaj, Huaiyu Yang, Alastair J. Florence
Format:	Article
Language:	English
Published:	International Union of Crystallography 2016-01-01
Series:	Acta Crystallographica Section E: Crystallographic Communications
Subjects:	crystal structure butylparaben isonicotinamide co-crystal hydrogen bonding
Online Access:	http://scripts.iucr.org/cgi-bin/paper?S2056989015023518

id	doaj-85f628bfb15d4ee4927cb79f7a714c83
record_format	Article
spelling	doaj-85f628bfb15d4ee4927cb79f7a714c832020-11-24T20:40:43ZengInternational Union of CrystallographyActa Crystallographica Section E: Crystallographic Communications2056-98902016-01-01721535510.1107/S2056989015023518cv5494Crystal structure of the co-crystal butylparaben–isonicotinamide (1/1)Rajni M. Bhardwaj0Huaiyu Yang1Alastair J. Florence2Strathclyde Institute of Pharmacy and Biomedical Sciences, University of Strathclyde, 161 Cathedral Street, Glasgow G4 0RE, ScotlandStrathclyde Institute of Pharmacy and Biomedical Sciences, University of Strathclyde, 161 Cathedral Street, Glasgow G4 0RE, ScotlandStrathclyde Institute of Pharmacy and Biomedical Sciences, University of Strathclyde, 161 Cathedral Street, Glasgow G4 0RE, ScotlandThe 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.http://scripts.iucr.org/cgi-bin/paper?S2056989015023518crystal structurebutylparabenisonicotinamideco-crystalhydrogen bonding
collection	DOAJ
language	English
format	Article
sources	DOAJ
author	Rajni M. Bhardwaj Huaiyu Yang Alastair J. Florence
spellingShingle	Rajni M. Bhardwaj Huaiyu Yang Alastair J. Florence Crystal structure of the co-crystal butylparaben–isonicotinamide (1/1) Acta Crystallographica Section E: Crystallographic Communications crystal structure butylparaben isonicotinamide co-crystal hydrogen bonding
author_facet	Rajni M. Bhardwaj Huaiyu Yang Alastair J. Florence
author_sort	Rajni M. Bhardwaj
title	Crystal structure of the co-crystal butylparaben–isonicotinamide (1/1)
title_short	Crystal structure of the co-crystal butylparaben–isonicotinamide (1/1)
title_full	Crystal structure of the co-crystal butylparaben–isonicotinamide (1/1)
title_fullStr	Crystal structure of the co-crystal butylparaben–isonicotinamide (1/1)
title_full_unstemmed	Crystal structure of the co-crystal butylparaben–isonicotinamide (1/1)
title_sort	crystal structure of the co-crystal butylparaben–isonicotinamide (1/1)
publisher	International Union of Crystallography
series	Acta Crystallographica Section E: Crystallographic Communications
issn	2056-9890
publishDate	2016-01-01
description	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.
topic	crystal structure butylparaben isonicotinamide co-crystal hydrogen bonding
url	http://scripts.iucr.org/cgi-bin/paper?S2056989015023518
work_keys_str_mv	AT rajnimbhardwaj crystalstructureofthecocrystalbutylparabenisonicotinamide11 AT huaiyuyang crystalstructureofthecocrystalbutylparabenisonicotinamide11 AT alastairjflorence crystalstructureofthecocrystalbutylparabenisonicotinamide11
_version_	1716825884308013056

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

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