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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...

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Autores principales: Dhanabalan, Nallathambi, Thanigaimani, Kaliyaperumal, Arshad, Suhana, Razak, Ibrahim Abdul, Santhanaraj, K. Joseph
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2014
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.
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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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