2-Aminopyrimidinium dihydrogen phosphate monohydrate
In the title compound, C4H6N3+·H2O4P−·H2O, the pyrimidinium ring is essentially planar, with an r.m.s. deviation of 0.0016 Å. In the structure, pairs of symmetry-related anions are connected into centrosymmetric clusters via strong O...
| Main Authors: | , , |
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| Format: | Article |
| Language: | English |
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International Union of Crystallography
2011-04-01
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| Series: | Acta Crystallographica Section E |
| Online Access: | http://scripts.iucr.org/cgi-bin/paper?S1600536811010658 |
| _version_ | 1819104960908886016 |
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| author | Houda Marouani Salem S. Al-Deyab Mohamed Rzaigui |
| author_facet | Houda Marouani Salem S. Al-Deyab Mohamed Rzaigui |
| author_sort | Houda Marouani |
| collection | DOAJ |
| description | In the title compound, C4H6N3+·H2O4P−·H2O, the pyrimidinium ring is essentially planar, with an r.m.s. deviation of 0.0016 Å. In the structure, pairs of symmetry-related anions are connected into centrosymmetric clusters via strong O—H...O hydrogen bonds forming six-membered rings with an R22(6) motif. These clusters are interconnected via water molecules through OW—H...O hydrogen bonds, building an infinite layer parallel to the ab plane. Moreover, infinite chains of 2-aminopyrimidinium cations spread along the a-axis direction. These chains are connected to the inorganic layer through N—H...O, C—H...O and C—H...N hydrogen bonds, which, together with electrostatic and van der Waals interactions, contribute to the cohesion and stability of the network in the crystal structure. |
| first_indexed | 2024-12-22T02:14:40Z |
| format | Article |
| id | doaj.art-5f4d9f99d0734d72ac81354a94ec71cb |
| institution | Directory Open Access Journal |
| issn | 1600-5368 |
| language | English |
| last_indexed | 2024-12-22T02:14:40Z |
| publishDate | 2011-04-01 |
| publisher | International Union of Crystallography |
| record_format | Article |
| series | Acta Crystallographica Section E |
| spelling | doaj.art-5f4d9f99d0734d72ac81354a94ec71cb2022-12-21T18:42:18ZengInternational Union of CrystallographyActa Crystallographica Section E1600-53682011-04-01674o970o97110.1107/S16005368110106582-Aminopyrimidinium dihydrogen phosphate monohydrateHouda MarouaniSalem S. Al-DeyabMohamed RzaiguiIn the title compound, C4H6N3+·H2O4P−·H2O, the pyrimidinium ring is essentially planar, with an r.m.s. deviation of 0.0016 Å. In the structure, pairs of symmetry-related anions are connected into centrosymmetric clusters via strong O—H...O hydrogen bonds forming six-membered rings with an R22(6) motif. These clusters are interconnected via water molecules through OW—H...O hydrogen bonds, building an infinite layer parallel to the ab plane. Moreover, infinite chains of 2-aminopyrimidinium cations spread along the a-axis direction. These chains are connected to the inorganic layer through N—H...O, C—H...O and C—H...N hydrogen bonds, which, together with electrostatic and van der Waals interactions, contribute to the cohesion and stability of the network in the crystal structure.http://scripts.iucr.org/cgi-bin/paper?S1600536811010658 |
| spellingShingle | Houda Marouani Salem S. Al-Deyab Mohamed Rzaigui 2-Aminopyrimidinium dihydrogen phosphate monohydrate Acta Crystallographica Section E |
| title | 2-Aminopyrimidinium dihydrogen phosphate monohydrate |
| title_full | 2-Aminopyrimidinium dihydrogen phosphate monohydrate |
| title_fullStr | 2-Aminopyrimidinium dihydrogen phosphate monohydrate |
| title_full_unstemmed | 2-Aminopyrimidinium dihydrogen phosphate monohydrate |
| title_short | 2-Aminopyrimidinium dihydrogen phosphate monohydrate |
| title_sort | 2 aminopyrimidinium dihydrogen phosphate monohydrate |
| url | http://scripts.iucr.org/cgi-bin/paper?S1600536811010658 |
| work_keys_str_mv | AT houdamarouani 2aminopyrimidiniumdihydrogenphosphatemonohydrate AT salemsaldeyab 2aminopyrimidiniumdihydrogenphosphatemonohydrate AT mohamedrzaigui 2aminopyrimidiniumdihydrogenphosphatemonohydrate |