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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)...

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Autores principales: Mammadova, Gunay Z., Mertsalov, Dmitriy F., Shchevnikov, Dmitriy M., Grigoriev, Mikhail S., Akkurt, Mehmet, Yıldırım, Sema Öztürk, Bhattarai, Ajaya
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2023
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.
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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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