9-Aminoacridin-10-ium 4-aminobenzoate dihydrate
The asymmetric unit of the title hydrated salt, C13H11N2 +.-C7H6NO2-.2H2O, 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) A ° , and...
| Main Authors: | , , , , |
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| Format: | Article |
| Language: | English |
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International Union of Crystallography
2014
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| Subjects: | |
| Online Access: | http://eprints.usm.my/37987/1/9-Aminoacridin-10-ium_4-aminobenzoate.pdf |
| _version_ | 1825833765261279232 |
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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 | USM |
| description | The asymmetric unit of the title hydrated salt, C13H11N2
+.-C7H6NO2-.2H2O, 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) A ° , 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 n–n interactions [centroid–centroid distances = 3.6343 (9)–
3.8366 (10) A °] and a C—H...n interaction. |
| first_indexed | 2024-03-06T15:12:41Z |
| format | Article |
| id | usm.eprints-37987 |
| institution | Universiti Sains Malaysia |
| language | English |
| last_indexed | 2024-03-06T15:12:41Z |
| publishDate | 2014 |
| publisher | International Union of Crystallography |
| record_format | dspace |
| spelling | usm.eprints-379872018-08-15T04:30:44Z http://eprints.usm.my/37987/ 9-Aminoacridin-10-ium 4-aminobenzoate dihydrate Dhanabalan, Nallathambi Thanigaimani, Kaliyaperumal Arshad, Suhana Razak, Ibrahim Abdul Santhanaraj, K. Joseph QC1-999 Physics The asymmetric unit of the title hydrated salt, C13H11N2 +.-C7H6NO2-.2H2O, 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) A ° , 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 n–n interactions [centroid–centroid distances = 3.6343 (9)– 3.8366 (10) A °] and a C—H...n interaction. International Union of Crystallography 2014 Article PeerReviewed application/pdf en http://eprints.usm.my/37987/1/9-Aminoacridin-10-ium_4-aminobenzoate.pdf Dhanabalan, Nallathambi and Thanigaimani, Kaliyaperumal and Arshad, Suhana and Razak, Ibrahim Abdul and Santhanaraj, K. Joseph (2014) 9-Aminoacridin-10-ium 4-aminobenzoate dihydrate. Acta Crystallographica Section E, 2014 (70). 0657-0669. ISSN 1600-5368 https://doi.org/10.1107/S160053681401023X |
| spellingShingle | QC1-999 Physics 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 | QC1-999 Physics |
| url | http://eprints.usm.my/37987/1/9-Aminoacridin-10-ium_4-aminobenzoate.pdf |
| work_keys_str_mv | AT dhanabalannallathambi 9aminoacridin10ium4aminobenzoatedihydrate AT thanigaimanikaliyaperumal 9aminoacridin10ium4aminobenzoatedihydrate AT arshadsuhana 9aminoacridin10ium4aminobenzoatedihydrate AT razakibrahimabdul 9aminoacridin10ium4aminobenzoatedihydrate AT santhanarajkjoseph 9aminoacridin10ium4aminobenzoatedihydrate |