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Crystal structure of 4-{2-[4-(di­methyl­amino)­phen­yl]diazen-1-yl}-1-methyl­pyridinium iodide

The mol­ecular geometry of the ionic title compound, C(14)H(17)N(4) (+)·I(−) or DAZOP(+)·I(−), is essentially featureless. Regarding the crystal structure, in addition to the obvious cation–anion Coulombic inter­actions, the packing is mostly directed by non-covalent inter­actions involving both rin...

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Detalles Bibliográficos
Autores principales: Chulvi, Katherine, Costero, Ana, Ochando, Luis E., Gaviña, Pablo
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2015
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4719983/
https://www.ncbi.nlm.nih.gov/pubmed/26870502
http://dx.doi.org/10.1107/S2056989015023646
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author Chulvi, Katherine
Costero, Ana
Ochando, Luis E.
Gaviña, Pablo
author_facet Chulvi, Katherine
Costero, Ana
Ochando, Luis E.
Gaviña, Pablo
author_sort Chulvi, Katherine
collection PubMed
description The mol­ecular geometry of the ionic title compound, C(14)H(17)N(4) (+)·I(−) or DAZOP(+)·I(−), is essentially featureless. Regarding the crystal structure, in addition to the obvious cation–anion Coulombic inter­actions, the packing is mostly directed by non-covalent inter­actions involving both ring systems, as well as the iodide anion. It consists of cationic mol­ecules aligned along [101] and disposed in an anti­parallel fashion while linked into π-bonded dimeric entities by a stacking contact involving symmetry-related phenyl rings, with a centroid–centroid distance of 3.468 (3) Å and a slippage of 0.951 Å. The dimers are, in addition, sustained by a number of C—H⋯I and I⋯π (I⋯centroid = 3.876 Å) inter­actions involving the anion. Finally, inter­dimeric contacts are of the C—H⋯I and C—H⋯π types.
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spelling pubmed-47199832016-02-11 Crystal structure of 4-{2-[4-(di­methyl­amino)­phen­yl]diazen-1-yl}-1-methyl­pyridinium iodide Chulvi, Katherine Costero, Ana Ochando, Luis E. Gaviña, Pablo Acta Crystallogr E Crystallogr Commun Data Reports The mol­ecular geometry of the ionic title compound, C(14)H(17)N(4) (+)·I(−) or DAZOP(+)·I(−), is essentially featureless. Regarding the crystal structure, in addition to the obvious cation–anion Coulombic inter­actions, the packing is mostly directed by non-covalent inter­actions involving both ring systems, as well as the iodide anion. It consists of cationic mol­ecules aligned along [101] and disposed in an anti­parallel fashion while linked into π-bonded dimeric entities by a stacking contact involving symmetry-related phenyl rings, with a centroid–centroid distance of 3.468 (3) Å and a slippage of 0.951 Å. The dimers are, in addition, sustained by a number of C—H⋯I and I⋯π (I⋯centroid = 3.876 Å) inter­actions involving the anion. Finally, inter­dimeric contacts are of the C—H⋯I and C—H⋯π types. International Union of Crystallography 2015-12-19 /pmc/articles/PMC4719983/ /pubmed/26870502 http://dx.doi.org/10.1107/S2056989015023646 Text en © Chulvi et al. 2015 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.
spellingShingle Data Reports
Chulvi, Katherine
Costero, Ana
Ochando, Luis E.
Gaviña, Pablo
Crystal structure of 4-{2-[4-(di­methyl­amino)­phen­yl]diazen-1-yl}-1-methyl­pyridinium iodide
title Crystal structure of 4-{2-[4-(di­methyl­amino)­phen­yl]diazen-1-yl}-1-methyl­pyridinium iodide
title_full Crystal structure of 4-{2-[4-(di­methyl­amino)­phen­yl]diazen-1-yl}-1-methyl­pyridinium iodide
title_fullStr Crystal structure of 4-{2-[4-(di­methyl­amino)­phen­yl]diazen-1-yl}-1-methyl­pyridinium iodide
title_full_unstemmed Crystal structure of 4-{2-[4-(di­methyl­amino)­phen­yl]diazen-1-yl}-1-methyl­pyridinium iodide
title_short Crystal structure of 4-{2-[4-(di­methyl­amino)­phen­yl]diazen-1-yl}-1-methyl­pyridinium iodide
title_sort crystal structure of 4-{2-[4-(di­methyl­amino)­phen­yl]diazen-1-yl}-1-methyl­pyridinium iodide
topic Data Reports
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4719983/
https://www.ncbi.nlm.nih.gov/pubmed/26870502
http://dx.doi.org/10.1107/S2056989015023646
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