Crystal structure of a 1:1 cocrystal of nicotinamide with 2-chloro-5-nitro­benzoic acid

In the title 1:1 cocrystal, C(7)H(4)ClNO(4)·C(6)H(6)N(2)O, nicotinamide (NIC) and 2-chloro-5-nitro­benzoic acid (CNBA) cocrystallize with one mol­ecule each of NIC and CNBA in the asymmetric unit. In this structure, CNBA and NIC form hydrogen bonds through O—H⋯N, N—H⋯O and C—H⋯O inter­actions along...

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Autores principales: Bairagi, Keshab M., Pal, Priyanka, Bhandary, Subhrajyoti, Venugopala, Katharigatta N., Chopra, Deepak, Nayak, Susanta K.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2019
Materias:
Research Communications
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6829734/
https://www.ncbi.nlm.nih.gov/pubmed/31709095
http://dx.doi.org/10.1107/S2056989019013859
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author Bairagi, Keshab M.
Pal, Priyanka
Bhandary, Subhrajyoti
Venugopala, Katharigatta N.
Chopra, Deepak
Nayak, Susanta K.
author_facet Bairagi, Keshab M.
Pal, Priyanka
Bhandary, Subhrajyoti
Venugopala, Katharigatta N.
Chopra, Deepak
Nayak, Susanta K.
author_sort Bairagi, Keshab M.
collection PubMed
description In the title 1:1 cocrystal, C(7)H(4)ClNO(4)·C(6)H(6)N(2)O, nicotinamide (NIC) and 2-chloro-5-nitro­benzoic acid (CNBA) cocrystallize with one mol­ecule each of NIC and CNBA in the asymmetric unit. In this structure, CNBA and NIC form hydrogen bonds through O—H⋯N, N—H⋯O and C—H⋯O inter­actions along with N—H⋯O dimer hydrogen bonds of NIC. Further additional weak π–π inter­actions stabilize the mol­ecular assembly of this cocrystal.
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spelling pubmed-68297342019-11-08 Crystal structure of a 1:1 cocrystal of nicotinamide with 2-chloro-5-nitro­benzoic acid Bairagi, Keshab M. Pal, Priyanka Bhandary, Subhrajyoti Venugopala, Katharigatta N. Chopra, Deepak Nayak, Susanta K. Acta Crystallogr E Crystallogr Commun Research Communications In the title 1:1 cocrystal, C(7)H(4)ClNO(4)·C(6)H(6)N(2)O, nicotinamide (NIC) and 2-chloro-5-nitro­benzoic acid (CNBA) cocrystallize with one mol­ecule each of NIC and CNBA in the asymmetric unit. In this structure, CNBA and NIC form hydrogen bonds through O—H⋯N, N—H⋯O and C—H⋯O inter­actions along with N—H⋯O dimer hydrogen bonds of NIC. Further additional weak π–π inter­actions stabilize the mol­ecular assembly of this cocrystal. International Union of Crystallography 2019-10-22 /pmc/articles/PMC6829734/ /pubmed/31709095 http://dx.doi.org/10.1107/S2056989019013859 Text en © Bairagi et al. 2019 http://creativecommons.org/licenses/by/4.0/ This is an open-access article distributed under the terms of the Creative Commons Attribution (CC-BY) Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.http://creativecommons.org/licenses/by/4.0/
spellingShingle Research Communications
Bairagi, Keshab M.
Pal, Priyanka
Bhandary, Subhrajyoti
Venugopala, Katharigatta N.
Chopra, Deepak
Nayak, Susanta K.
Crystal structure of a 1:1 cocrystal of nicotinamide with 2-chloro-5-nitro­benzoic acid
title Crystal structure of a 1:1 cocrystal of nicotinamide with 2-chloro-5-nitro­benzoic acid
title_full Crystal structure of a 1:1 cocrystal of nicotinamide with 2-chloro-5-nitro­benzoic acid
title_fullStr Crystal structure of a 1:1 cocrystal of nicotinamide with 2-chloro-5-nitro­benzoic acid
title_full_unstemmed Crystal structure of a 1:1 cocrystal of nicotinamide with 2-chloro-5-nitro­benzoic acid
title_short Crystal structure of a 1:1 cocrystal of nicotinamide with 2-chloro-5-nitro­benzoic acid
title_sort crystal structure of a 1:1 cocrystal of nicotinamide with 2-chloro-5-nitro­benzoic acid
topic Research Communications
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6829734/
https://www.ncbi.nlm.nih.gov/pubmed/31709095
http://dx.doi.org/10.1107/S2056989019013859
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