The mol­ecular and crystal structures of 2-(3-hy­droxy­prop­yl)benzimidazole and its nitrate salt

2-(3-Hy­droxy­prop­yl)-1H-benzimidazole, C(10)H(12)N(2)O, which has potential biological activity, can be used as a ligand for complexation with metals. This compound is an electron donor, due to the lone pair of the nitro­gen atom in the imidazole ring. This nitro­gen atom also acts as a proton acc...

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Autores principales: Rakhmonova, Dilnoza, Kadirova, Zukhra, Torambetov, Batirbay, Kadirova, Shakhnoza, Ashurov, Jamshid, Shishkina, Svitlana
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2022
Materias:
Research Communications
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8819435/
https://www.ncbi.nlm.nih.gov/pubmed/35145753
http://dx.doi.org/10.1107/S2056989022000585
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author Rakhmonova, Dilnoza
Kadirova, Zukhra
Torambetov, Batirbay
Kadirova, Shakhnoza
Ashurov, Jamshid
Shishkina, Svitlana
author_facet Rakhmonova, Dilnoza
Kadirova, Zukhra
Torambetov, Batirbay
Kadirova, Shakhnoza
Ashurov, Jamshid
Shishkina, Svitlana
author_sort Rakhmonova, Dilnoza
collection PubMed
description 2-(3-Hy­droxy­prop­yl)-1H-benzimidazole, C(10)H(12)N(2)O, which has potential biological activity, can be used as a ligand for complexation with metals. This compound is an electron donor, due to the lone pair of the nitro­gen atom in the imidazole ring. This nitro­gen atom also acts as a proton acceptor. In the crystalline phase, the nitrate salt, namely, 2-(3-hy­droxy­prop­yl)-1H-benzim­id­azol-3-ium nitrate, C(10)H(13)N(2)O(+)·NO(3) (−), has been studied. The protonation of the 2-(3-hy­droxy­prop­yl)benzimidazole unit results in significant delocalization of the electron density within the imidazole ring. The salt formation leads to variations in the inter­molecular inter­actions, which were studied by analysis of the Hirshfeld surfaces and two-dimensional fingerprint plots.
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spelling pubmed-88194352022-02-09 The mol­ecular and crystal structures of 2-(3-hy­droxy­prop­yl)benzimidazole and its nitrate salt Rakhmonova, Dilnoza Kadirova, Zukhra Torambetov, Batirbay Kadirova, Shakhnoza Ashurov, Jamshid Shishkina, Svitlana Acta Crystallogr E Crystallogr Commun Research Communications 2-(3-Hy­droxy­prop­yl)-1H-benzimidazole, C(10)H(12)N(2)O, which has potential biological activity, can be used as a ligand for complexation with metals. This compound is an electron donor, due to the lone pair of the nitro­gen atom in the imidazole ring. This nitro­gen atom also acts as a proton acceptor. In the crystalline phase, the nitrate salt, namely, 2-(3-hy­droxy­prop­yl)-1H-benzim­id­azol-3-ium nitrate, C(10)H(13)N(2)O(+)·NO(3) (−), has been studied. The protonation of the 2-(3-hy­droxy­prop­yl)benzimidazole unit results in significant delocalization of the electron density within the imidazole ring. The salt formation leads to variations in the inter­molecular inter­actions, which were studied by analysis of the Hirshfeld surfaces and two-dimensional fingerprint plots. International Union of Crystallography 2022-01-20 /pmc/articles/PMC8819435/ /pubmed/35145753 http://dx.doi.org/10.1107/S2056989022000585 Text en © Rakhmonova et al. 2022 https://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.
spellingShingle Research Communications
Rakhmonova, Dilnoza
Kadirova, Zukhra
Torambetov, Batirbay
Kadirova, Shakhnoza
Ashurov, Jamshid
Shishkina, Svitlana
The mol­ecular and crystal structures of 2-(3-hy­droxy­prop­yl)benzimidazole and its nitrate salt
title The mol­ecular and crystal structures of 2-(3-hy­droxy­prop­yl)benzimidazole and its nitrate salt
title_full The mol­ecular and crystal structures of 2-(3-hy­droxy­prop­yl)benzimidazole and its nitrate salt
title_fullStr The mol­ecular and crystal structures of 2-(3-hy­droxy­prop­yl)benzimidazole and its nitrate salt
title_full_unstemmed The mol­ecular and crystal structures of 2-(3-hy­droxy­prop­yl)benzimidazole and its nitrate salt
title_short The mol­ecular and crystal structures of 2-(3-hy­droxy­prop­yl)benzimidazole and its nitrate salt
title_sort mol­ecular and crystal structures of 2-(3-hy­droxy­prop­yl)benzimidazole and its nitrate salt
topic Research Communications
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8819435/
https://www.ncbi.nlm.nih.gov/pubmed/35145753
http://dx.doi.org/10.1107/S2056989022000585
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