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9-Aminoacridin-10-ium 4-aminobenzoate dihydrate
The asymmetric unit of the title hydrated salt, C(13)H(11)N(2) (+)·C(7)H(6)NO(2) (−)·2H(2)O, consists of two independent 9-aminoacridinium cations, two 4-aminobenzoate anions and four water molecules. Both 9-aminoacridinium cations are essentially planar, with maximum deviations of 0.034 (1) and...
Autores principales: | , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
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International Union of Crystallography
2014
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4051093/ https://www.ncbi.nlm.nih.gov/pubmed/24940241 http://dx.doi.org/10.1107/S160053681401023X |
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author | Dhanabalan, Nallathambi Thanigaimani, Kaliyaperumal Arshad, Suhana Razak, Ibrahim Abdul Santhanaraj, K. Joseph |
author_facet | Dhanabalan, Nallathambi Thanigaimani, Kaliyaperumal Arshad, Suhana Razak, Ibrahim Abdul Santhanaraj, K. Joseph |
author_sort | Dhanabalan, Nallathambi |
collection | PubMed |
description | The asymmetric unit of the title hydrated salt, C(13)H(11)N(2) (+)·C(7)H(6)NO(2) (−)·2H(2)O, consists of two independent 9-aminoacridinium cations, two 4-aminobenzoate anions and four water molecules. Both 9-aminoacridinium cations are essentially planar, with maximum deviations of 0.034 (1) and 0.025 (2) Å, and are protonated at the pyridine N atoms. The 4-aminobenzoate anions are approximately planar, with dihedral angles of 9.16 (19) and 5.4 (2)° between the benzene ring and the carboxylate group. In the crystal, the two independent anions are connected by N—H⋯O hydrogen bonds, forming a layer parallel to (100). The layers are connected through the cations by N—H⋯N and N—H⋯O hydrogen bonds. The water molecules, which form O—H⋯O hydrogen-bonded chains along the b-axis direction, connect the anions and the cations by O—H⋯O, N—H⋯O and C—H⋯O hydrogen bonds. The crystal structure also features π–π interactions [centroid–centroid distances = 3.6343 (9)–3.8366 (10) Å] and a C—H⋯π interaction. |
format | Online Article Text |
id | pubmed-4051093 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2014 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-40510932014-06-17 9-Aminoacridin-10-ium 4-aminobenzoate dihydrate Dhanabalan, Nallathambi Thanigaimani, Kaliyaperumal Arshad, Suhana Razak, Ibrahim Abdul Santhanaraj, K. Joseph Acta Crystallogr Sect E Struct Rep Online Organic Papers The asymmetric unit of the title hydrated salt, C(13)H(11)N(2) (+)·C(7)H(6)NO(2) (−)·2H(2)O, consists of two independent 9-aminoacridinium cations, two 4-aminobenzoate anions and four water molecules. Both 9-aminoacridinium cations are essentially planar, with maximum deviations of 0.034 (1) and 0.025 (2) Å, and are protonated at the pyridine N atoms. The 4-aminobenzoate anions are approximately planar, with dihedral angles of 9.16 (19) and 5.4 (2)° between the benzene ring and the carboxylate group. In the crystal, the two independent anions are connected by N—H⋯O hydrogen bonds, forming a layer parallel to (100). The layers are connected through the cations by N—H⋯N and N—H⋯O hydrogen bonds. The water molecules, which form O—H⋯O hydrogen-bonded chains along the b-axis direction, connect the anions and the cations by O—H⋯O, N—H⋯O and C—H⋯O hydrogen bonds. The crystal structure also features π–π interactions [centroid–centroid distances = 3.6343 (9)–3.8366 (10) Å] and a C—H⋯π interaction. International Union of Crystallography 2014-05-17 /pmc/articles/PMC4051093/ /pubmed/24940241 http://dx.doi.org/10.1107/S160053681401023X Text en © Dhanabalan et al. 2014 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 | Organic Papers Dhanabalan, Nallathambi Thanigaimani, Kaliyaperumal Arshad, Suhana Razak, Ibrahim Abdul Santhanaraj, K. Joseph 9-Aminoacridin-10-ium 4-aminobenzoate dihydrate |
title | 9-Aminoacridin-10-ium 4-aminobenzoate dihydrate |
title_full | 9-Aminoacridin-10-ium 4-aminobenzoate dihydrate |
title_fullStr | 9-Aminoacridin-10-ium 4-aminobenzoate dihydrate |
title_full_unstemmed | 9-Aminoacridin-10-ium 4-aminobenzoate dihydrate |
title_short | 9-Aminoacridin-10-ium 4-aminobenzoate dihydrate |
title_sort | 9-aminoacridin-10-ium 4-aminobenzoate dihydrate |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4051093/ https://www.ncbi.nlm.nih.gov/pubmed/24940241 http://dx.doi.org/10.1107/S160053681401023X |
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