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Crystal structures and Hirshfeld surface analyses of N,N-dimethylacetamide–1-(dimethyl-λ(4)-azanylidene)ethan-1-ol tribromide (1/1), N,N-dimethylacetamide–1-(dimethyl-λ(4)-azanylidene)ethan-1-ol dibromidoiodate (1/1) and N,N-dimethylacetamide–1-(dimethyl-λ(4)-azanylidene)ethan-1-ol dichloridoiodate (1/1)
In the title compounds, N,N-dimethylacetamide–1-(dimethyl-λ(4)-azanylidene)ethan-1-ol tribromide (1/1), C(4)H(9)NO·C(4)H(10)NO(+)·Br(3) (−) or [(C(4)H(9)NO)·(C(4)H(10)NO)](Br(3)), (I), N,N-dimethylacetamide–1-(dimethyl-λ(4)-azanylidene)ethan-1-ol dibromidoiodate (1/1), C(4)H(9)NO·C(4)H(10)...
Autores principales: | , , , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2023
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10439411/ https://www.ncbi.nlm.nih.gov/pubmed/37601404 http://dx.doi.org/10.1107/S2056989023005509 |
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author | Mammadova, Gunay Z. Mertsalov, Dmitriy F. Shchevnikov, Dmitriy M. Grigoriev, Mikhail S. Akkurt, Mehmet Yıldırım, Sema Öztürk Bhattarai, Ajaya |
author_facet | Mammadova, Gunay Z. Mertsalov, Dmitriy F. Shchevnikov, Dmitriy M. Grigoriev, Mikhail S. Akkurt, Mehmet Yıldırım, Sema Öztürk Bhattarai, Ajaya |
author_sort | Mammadova, Gunay Z. |
collection | PubMed |
description | In the title compounds, N,N-dimethylacetamide–1-(dimethyl-λ(4)-azanylidene)ethan-1-ol tribromide (1/1), C(4)H(9)NO·C(4)H(10)NO(+)·Br(3) (−) or [(C(4)H(9)NO)·(C(4)H(10)NO)](Br(3)), (I), N,N-dimethylacetamide–1-(dimethyl-λ(4)-azanylidene)ethan-1-ol dibromidoiodate (1/1), C(4)H(9)NO·C(4)H(10)NO(+)·Br(2)I(−) or [(C(4)H(9)NO)·(C(4)H(10)NO)](Br(2)I), (II), and N,N-dimethylacetamide–1-(dimethyl-λ(4)-azanylidene)ethan-1-ol dichloridoiodate (1/1), C(4)H(9)NO·C(4)H(10)NO(+)·Cl(2)I(−) or [(C(4)H(9)NO)·(C(4)H(10)NO)]·(Cl(2)I), (III), all the anions are almost linear in geometry and all the cations, except for the methyl H atoms, are essentially planar. In the crystal structure of (I), the cations are linked by pairs of C—H⋯O hydrogen bonds, forming inversion dimers with an R (2) (2)(8) ring motif. These dimers also exhibit O—H⋯O hydrogen bonding. Dimerized cation pairs and anions are arranged in columns along the a axis. In the crystal of (II), the cations are linked by pairs of O—H⋯O and C—H⋯O hydrogen bonds, forming an R (4) (4)(14) ring motif. These groups of cations and the anions form individual columns along the a axis and jointly reside in planes roughly parallel to (011). In the crystal of (III), cations and anions also form columns parallel to the a axis, resulting in layers parallel to the (020) plane. Furthermore, the crystal structures of (I), (II) and (III) are consolidated by strong halogen (Br and/or I and/or Cl)⋯H and weak van der Waals interactions. In addition to the structural evaluation, a Hirshfeld surface analysis was carried out. |
format | Online Article Text |
id | pubmed-10439411 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2023 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-104394112023-08-20 Crystal structures and Hirshfeld surface analyses of N,N-dimethylacetamide–1-(dimethyl-λ(4)-azanylidene)ethan-1-ol tribromide (1/1), N,N-dimethylacetamide–1-(dimethyl-λ(4)-azanylidene)ethan-1-ol dibromidoiodate (1/1) and N,N-dimethylacetamide–1-(dimethyl-λ(4)-azanylidene)ethan-1-ol dichloridoiodate (1/1) Mammadova, Gunay Z. Mertsalov, Dmitriy F. Shchevnikov, Dmitriy M. Grigoriev, Mikhail S. Akkurt, Mehmet Yıldırım, Sema Öztürk Bhattarai, Ajaya Acta Crystallogr E Crystallogr Commun Research Communications In the title compounds, N,N-dimethylacetamide–1-(dimethyl-λ(4)-azanylidene)ethan-1-ol tribromide (1/1), C(4)H(9)NO·C(4)H(10)NO(+)·Br(3) (−) or [(C(4)H(9)NO)·(C(4)H(10)NO)](Br(3)), (I), N,N-dimethylacetamide–1-(dimethyl-λ(4)-azanylidene)ethan-1-ol dibromidoiodate (1/1), C(4)H(9)NO·C(4)H(10)NO(+)·Br(2)I(−) or [(C(4)H(9)NO)·(C(4)H(10)NO)](Br(2)I), (II), and N,N-dimethylacetamide–1-(dimethyl-λ(4)-azanylidene)ethan-1-ol dichloridoiodate (1/1), C(4)H(9)NO·C(4)H(10)NO(+)·Cl(2)I(−) or [(C(4)H(9)NO)·(C(4)H(10)NO)]·(Cl(2)I), (III), all the anions are almost linear in geometry and all the cations, except for the methyl H atoms, are essentially planar. In the crystal structure of (I), the cations are linked by pairs of C—H⋯O hydrogen bonds, forming inversion dimers with an R (2) (2)(8) ring motif. These dimers also exhibit O—H⋯O hydrogen bonding. Dimerized cation pairs and anions are arranged in columns along the a axis. In the crystal of (II), the cations are linked by pairs of O—H⋯O and C—H⋯O hydrogen bonds, forming an R (4) (4)(14) ring motif. These groups of cations and the anions form individual columns along the a axis and jointly reside in planes roughly parallel to (011). In the crystal of (III), cations and anions also form columns parallel to the a axis, resulting in layers parallel to the (020) plane. Furthermore, the crystal structures of (I), (II) and (III) are consolidated by strong halogen (Br and/or I and/or Cl)⋯H and weak van der Waals interactions. In addition to the structural evaluation, a Hirshfeld surface analysis was carried out. International Union of Crystallography 2023-07-04 /pmc/articles/PMC10439411/ /pubmed/37601404 http://dx.doi.org/10.1107/S2056989023005509 Text en © Mammadova et al. 2023 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 Mammadova, Gunay Z. Mertsalov, Dmitriy F. Shchevnikov, Dmitriy M. Grigoriev, Mikhail S. Akkurt, Mehmet Yıldırım, Sema Öztürk Bhattarai, Ajaya Crystal structures and Hirshfeld surface analyses of N,N-dimethylacetamide–1-(dimethyl-λ(4)-azanylidene)ethan-1-ol tribromide (1/1), N,N-dimethylacetamide–1-(dimethyl-λ(4)-azanylidene)ethan-1-ol dibromidoiodate (1/1) and N,N-dimethylacetamide–1-(dimethyl-λ(4)-azanylidene)ethan-1-ol dichloridoiodate (1/1) |
title | Crystal structures and Hirshfeld surface analyses of N,N-dimethylacetamide–1-(dimethyl-λ(4)-azanylidene)ethan-1-ol tribromide (1/1), N,N-dimethylacetamide–1-(dimethyl-λ(4)-azanylidene)ethan-1-ol dibromidoiodate (1/1) and N,N-dimethylacetamide–1-(dimethyl-λ(4)-azanylidene)ethan-1-ol dichloridoiodate (1/1) |
title_full | Crystal structures and Hirshfeld surface analyses of N,N-dimethylacetamide–1-(dimethyl-λ(4)-azanylidene)ethan-1-ol tribromide (1/1), N,N-dimethylacetamide–1-(dimethyl-λ(4)-azanylidene)ethan-1-ol dibromidoiodate (1/1) and N,N-dimethylacetamide–1-(dimethyl-λ(4)-azanylidene)ethan-1-ol dichloridoiodate (1/1) |
title_fullStr | Crystal structures and Hirshfeld surface analyses of N,N-dimethylacetamide–1-(dimethyl-λ(4)-azanylidene)ethan-1-ol tribromide (1/1), N,N-dimethylacetamide–1-(dimethyl-λ(4)-azanylidene)ethan-1-ol dibromidoiodate (1/1) and N,N-dimethylacetamide–1-(dimethyl-λ(4)-azanylidene)ethan-1-ol dichloridoiodate (1/1) |
title_full_unstemmed | Crystal structures and Hirshfeld surface analyses of N,N-dimethylacetamide–1-(dimethyl-λ(4)-azanylidene)ethan-1-ol tribromide (1/1), N,N-dimethylacetamide–1-(dimethyl-λ(4)-azanylidene)ethan-1-ol dibromidoiodate (1/1) and N,N-dimethylacetamide–1-(dimethyl-λ(4)-azanylidene)ethan-1-ol dichloridoiodate (1/1) |
title_short | Crystal structures and Hirshfeld surface analyses of N,N-dimethylacetamide–1-(dimethyl-λ(4)-azanylidene)ethan-1-ol tribromide (1/1), N,N-dimethylacetamide–1-(dimethyl-λ(4)-azanylidene)ethan-1-ol dibromidoiodate (1/1) and N,N-dimethylacetamide–1-(dimethyl-λ(4)-azanylidene)ethan-1-ol dichloridoiodate (1/1) |
title_sort | crystal structures and hirshfeld surface analyses of n,n-dimethylacetamide–1-(dimethyl-λ(4)-azanylidene)ethan-1-ol tribromide (1/1), n,n-dimethylacetamide–1-(dimethyl-λ(4)-azanylidene)ethan-1-ol dibromidoiodate (1/1) and n,n-dimethylacetamide–1-(dimethyl-λ(4)-azanylidene)ethan-1-ol dichloridoiodate (1/1) |
topic | Research Communications |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10439411/ https://www.ncbi.nlm.nih.gov/pubmed/37601404 http://dx.doi.org/10.1107/S2056989023005509 |
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