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Crystal structure and Hirshfeld surface analysis of a pyridiniminium bromide salt: 1-[2-([1,1′-biphen­yl]-4-yl)-2-oxoeth­yl]-3-methyl-1,4-di­hydro­pyridin-4-iminium bromide

In the cation of the title salt, C(20)H(19)N(2)O(+)·Br(−), the phenyl rings are inclined to one another by 38.38 (8)°, whereas the central phenyl ring and the pyridiniminium ring are almost perpendicular with a dihedral angle of 87.37 (9)°. The N(+)=C cationic double bond was verified by the shorten...

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Autores principales: Sheshadri, S. N., Kwong, Huey Chong, Chidan Kumar, C. S., Quah, Ching Kheng, Siddaraju, B. P., Veeraiah, M. K., Hamid, Muhammad Aiman Bin Abd, Warad, Ismail
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2018
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5947502/
https://www.ncbi.nlm.nih.gov/pubmed/29850106
http://dx.doi.org/10.1107/S2056989018006217
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author Sheshadri, S. N.
Kwong, Huey Chong
Chidan Kumar, C. S.
Quah, Ching Kheng
Siddaraju, B. P.
Veeraiah, M. K.
Hamid, Muhammad Aiman Bin Abd
Warad, Ismail
author_facet Sheshadri, S. N.
Kwong, Huey Chong
Chidan Kumar, C. S.
Quah, Ching Kheng
Siddaraju, B. P.
Veeraiah, M. K.
Hamid, Muhammad Aiman Bin Abd
Warad, Ismail
author_sort Sheshadri, S. N.
collection PubMed
description In the cation of the title salt, C(20)H(19)N(2)O(+)·Br(−), the phenyl rings are inclined to one another by 38.38 (8)°, whereas the central phenyl ring and the pyridiniminium ring are almost perpendicular with a dihedral angle of 87.37 (9)°. The N(+)=C cationic double bond was verified by the shortened bond length of 1.337 (2) Å. In the crystal, the Br(−) anion is linked to the cation by an N—H⋯Br hydrogen bond. C—H⋯O hydrogen bonds link adjacent pyridiniminium cations into inversion dimers with an R (2) (2)(18) graph-set motif. These dimers are stacked in a phen­yl–phenyl T-shaped geometry through C—H⋯π inter­actions. A Hirshfeld surface analysis was conducted to verify the contributions of the different inter­molecular inter­actions.
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spelling pubmed-59475022018-05-30 Crystal structure and Hirshfeld surface analysis of a pyridiniminium bromide salt: 1-[2-([1,1′-biphen­yl]-4-yl)-2-oxoeth­yl]-3-methyl-1,4-di­hydro­pyridin-4-iminium bromide Sheshadri, S. N. Kwong, Huey Chong Chidan Kumar, C. S. Quah, Ching Kheng Siddaraju, B. P. Veeraiah, M. K. Hamid, Muhammad Aiman Bin Abd Warad, Ismail Acta Crystallogr E Crystallogr Commun Research Communications In the cation of the title salt, C(20)H(19)N(2)O(+)·Br(−), the phenyl rings are inclined to one another by 38.38 (8)°, whereas the central phenyl ring and the pyridiniminium ring are almost perpendicular with a dihedral angle of 87.37 (9)°. The N(+)=C cationic double bond was verified by the shortened bond length of 1.337 (2) Å. In the crystal, the Br(−) anion is linked to the cation by an N—H⋯Br hydrogen bond. C—H⋯O hydrogen bonds link adjacent pyridiniminium cations into inversion dimers with an R (2) (2)(18) graph-set motif. These dimers are stacked in a phen­yl–phenyl T-shaped geometry through C—H⋯π inter­actions. A Hirshfeld surface analysis was conducted to verify the contributions of the different inter­molecular inter­actions. International Union of Crystallography 2018-04-27 /pmc/articles/PMC5947502/ /pubmed/29850106 http://dx.doi.org/10.1107/S2056989018006217 Text en © Sheshadri et al. 2018 http://creativecommons.org/licenses/by/2.0/uk/ 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/2.0/uk/
spellingShingle Research Communications
Sheshadri, S. N.
Kwong, Huey Chong
Chidan Kumar, C. S.
Quah, Ching Kheng
Siddaraju, B. P.
Veeraiah, M. K.
Hamid, Muhammad Aiman Bin Abd
Warad, Ismail
Crystal structure and Hirshfeld surface analysis of a pyridiniminium bromide salt: 1-[2-([1,1′-biphen­yl]-4-yl)-2-oxoeth­yl]-3-methyl-1,4-di­hydro­pyridin-4-iminium bromide
title Crystal structure and Hirshfeld surface analysis of a pyridiniminium bromide salt: 1-[2-([1,1′-biphen­yl]-4-yl)-2-oxoeth­yl]-3-methyl-1,4-di­hydro­pyridin-4-iminium bromide
title_full Crystal structure and Hirshfeld surface analysis of a pyridiniminium bromide salt: 1-[2-([1,1′-biphen­yl]-4-yl)-2-oxoeth­yl]-3-methyl-1,4-di­hydro­pyridin-4-iminium bromide
title_fullStr Crystal structure and Hirshfeld surface analysis of a pyridiniminium bromide salt: 1-[2-([1,1′-biphen­yl]-4-yl)-2-oxoeth­yl]-3-methyl-1,4-di­hydro­pyridin-4-iminium bromide
title_full_unstemmed Crystal structure and Hirshfeld surface analysis of a pyridiniminium bromide salt: 1-[2-([1,1′-biphen­yl]-4-yl)-2-oxoeth­yl]-3-methyl-1,4-di­hydro­pyridin-4-iminium bromide
title_short Crystal structure and Hirshfeld surface analysis of a pyridiniminium bromide salt: 1-[2-([1,1′-biphen­yl]-4-yl)-2-oxoeth­yl]-3-methyl-1,4-di­hydro­pyridin-4-iminium bromide
title_sort crystal structure and hirshfeld surface analysis of a pyridiniminium bromide salt: 1-[2-([1,1′-biphen­yl]-4-yl)-2-oxoeth­yl]-3-methyl-1,4-di­hydro­pyridin-4-iminium bromide
topic Research Communications
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5947502/
https://www.ncbi.nlm.nih.gov/pubmed/29850106
http://dx.doi.org/10.1107/S2056989018006217
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