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

The title 1:1 co-crystal, C(11)H(14)O(3)·C(6)H(6)N(2)O [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-bo...

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Autores principales: Bhardwaj, Rajni M., Yang, Huaiyu, Florence, Alastair J.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2016
Materias:
Research Communications
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4704755/
https://www.ncbi.nlm.nih.gov/pubmed/26870584
http://dx.doi.org/10.1107/S2056989015023518
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author Bhardwaj, Rajni M.
Yang, Huaiyu
Florence, Alastair J.
author_facet Bhardwaj, Rajni M.
Yang, Huaiyu
Florence, Alastair J.
author_sort Bhardwaj, Rajni M.
collection PubMed
description The title 1:1 co-crystal, C(11)H(14)O(3)·C(6)H(6)N(2)O [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.
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spelling pubmed-47047552016-02-11 Crystal structure of the co-crystal butyl­paraben–isonicotinamide (1/1) Bhardwaj, Rajni M. Yang, Huaiyu Florence, Alastair J. Acta Crystallogr E Crystallogr Commun Research Communications The title 1:1 co-crystal, C(11)H(14)O(3)·C(6)H(6)N(2)O [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. International Union of Crystallography 2016-01-01 /pmc/articles/PMC4704755/ /pubmed/26870584 http://dx.doi.org/10.1107/S2056989015023518 Text en © Bhardwaj et al. 2016 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.
spellingShingle Research Communications
Bhardwaj, Rajni M.
Yang, Huaiyu
Florence, Alastair J.
Crystal structure of the co-crystal butyl­paraben–isonicotinamide (1/1)
title 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_short Crystal structure of the co-crystal butyl­paraben–isonicotinamide (1/1)
title_sort crystal structure of the co-crystal butyl­paraben–isonicotinamide (1/1)
topic Research Communications
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4704755/
https://www.ncbi.nlm.nih.gov/pubmed/26870584
http://dx.doi.org/10.1107/S2056989015023518
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