Crystal structure, Hirshfeld surface analysis and physicochemical characterization of bis[4-(dimethylamino)pyridinium] di-μ-chlorido-bis[dichloridomercurate(II)]
The title molecular salt, (C7H11N2)2[Hg2Cl6], crystallizes with two 4-(dimethylamino)pyridinium cations (A and B) and two half hexachloridodimercurate(II) anions in the asymmetric unit. The organic cations exhibit essentially the same features with an almost planar pyridyl ring (r.m.s. deviations of...
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| Format: | Article |
| Language: | English |
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International Union of Crystallography
2019-11-01
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| Series: | Acta Crystallographica Section E: Crystallographic Communications |
| Subjects: | |
| Online Access: | http://scripts.iucr.org/cgi-bin/paper?S2056989019013124 |
| _version_ | 1798025921490321408 |
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| author | Fatma Garci Hela Ferjani Hammouda Chebbi Mariem Ben Jomaa Mohamed Faouzi Zid |
| author_facet | Fatma Garci Hela Ferjani Hammouda Chebbi Mariem Ben Jomaa Mohamed Faouzi Zid |
| author_sort | Fatma Garci |
| collection | DOAJ |
| description | The title molecular salt, (C7H11N2)2[Hg2Cl6], crystallizes with two 4-(dimethylamino)pyridinium cations (A and B) and two half hexachloridodimercurate(II) anions in the asymmetric unit. The organic cations exhibit essentially the same features with an almost planar pyridyl ring (r.m.s. deviations of 0.0028 and 0.0109 Å), which forms an inclined dihedral angle with the dimethyamino group [3.06 (1) and 1.61 (1)°, respectively]. The dimethylamino groups in the two cations are planar, and the C—N bond lengths are shorter than that in 4-(dimethylamino)pyridine. In the crystal, mixed cation–anion layers lying parallel to the (010) plane are formed through N—H...Cl hydrogen bonds and adjacent layers are linked by C—H...Cl hydrogen bonds, forming a three-dimensional network. The analyses of the calculated Hirshfeld surfaces confirm the relevance of the above intermolecular interactions, but also serve to further differentiate the weaker intermolecular interactions formed by the organic cations and inorganic anions, such as π–π and Cl...Cl interactions. The powder XRD data confirms the phase purity of the crystalline sample. Furthermore, the vibrational absorption bands were identified by IR spectroscopy and the optical properties were studied by using optical UV–visible absorption spectroscopy. |
| first_indexed | 2024-04-11T18:26:43Z |
| format | Article |
| id | doaj.art-aa96dfada34c4803912cfb38a0a7850d |
| institution | Directory Open Access Journal |
| issn | 2056-9890 |
| language | English |
| last_indexed | 2024-04-11T18:26:43Z |
| publishDate | 2019-11-01 |
| publisher | International Union of Crystallography |
| record_format | Article |
| series | Acta Crystallographica Section E: Crystallographic Communications |
| spelling | doaj.art-aa96dfada34c4803912cfb38a0a7850d2022-12-22T04:09:36ZengInternational Union of CrystallographyActa Crystallographica Section E: Crystallographic Communications2056-98902019-11-0175111600160610.1107/S2056989019013124vm2222Crystal structure, Hirshfeld surface analysis and physicochemical characterization of bis[4-(dimethylamino)pyridinium] di-μ-chlorido-bis[dichloridomercurate(II)]Fatma Garci0Hela Ferjani1Hammouda Chebbi2Mariem Ben Jomaa3Mohamed Faouzi Zid4University of Tunis El Manar, Faculty of Sciences of Tunis, Laboratory of Materials, Crystal Chemistry and Applied Thermodynamics, 2092 El Manar II, Tunis, TunisiaChemistry Department, College of Science, IMSIU (Imam Mohammad Ibn Saud Islamic University), Riyadh 11623, Kingdom of Saudi ArabiaUniversity of Tunis El Manar, Faculty of Sciences of Tunis, Laboratory of Materials, Crystal Chemistry and Applied Thermodynamics, 2092 El Manar II, Tunis, TunisiaUniversity of Tunis El Manar, Faculty of Sciences of Tunis, Laboratory of Materials, Crystal Chemistry and Applied Thermodynamics, 2092 El Manar II, Tunis, TunisiaUniversity of Tunis El Manar, Faculty of Sciences of Tunis, Laboratory of Materials, Crystal Chemistry and Applied Thermodynamics, 2092 El Manar II, Tunis, TunisiaThe title molecular salt, (C7H11N2)2[Hg2Cl6], crystallizes with two 4-(dimethylamino)pyridinium cations (A and B) and two half hexachloridodimercurate(II) anions in the asymmetric unit. The organic cations exhibit essentially the same features with an almost planar pyridyl ring (r.m.s. deviations of 0.0028 and 0.0109 Å), which forms an inclined dihedral angle with the dimethyamino group [3.06 (1) and 1.61 (1)°, respectively]. The dimethylamino groups in the two cations are planar, and the C—N bond lengths are shorter than that in 4-(dimethylamino)pyridine. In the crystal, mixed cation–anion layers lying parallel to the (010) plane are formed through N—H...Cl hydrogen bonds and adjacent layers are linked by C—H...Cl hydrogen bonds, forming a three-dimensional network. The analyses of the calculated Hirshfeld surfaces confirm the relevance of the above intermolecular interactions, but also serve to further differentiate the weaker intermolecular interactions formed by the organic cations and inorganic anions, such as π–π and Cl...Cl interactions. The powder XRD data confirms the phase purity of the crystalline sample. Furthermore, the vibrational absorption bands were identified by IR spectroscopy and the optical properties were studied by using optical UV–visible absorption spectroscopy.http://scripts.iucr.org/cgi-bin/paper?S2056989019013124crystal structurechloromercurate(ii) salt4-dimethylaminopyridiumhirshfeld surfacefingerprint plotshybrid compound |
| spellingShingle | Fatma Garci Hela Ferjani Hammouda Chebbi Mariem Ben Jomaa Mohamed Faouzi Zid Crystal structure, Hirshfeld surface analysis and physicochemical characterization of bis[4-(dimethylamino)pyridinium] di-μ-chlorido-bis[dichloridomercurate(II)] Acta Crystallographica Section E: Crystallographic Communications crystal structure chloromercurate(ii) salt 4-dimethylaminopyridium hirshfeld surface fingerprint plots hybrid compound |
| title | Crystal structure, Hirshfeld surface analysis and physicochemical characterization of bis[4-(dimethylamino)pyridinium] di-μ-chlorido-bis[dichloridomercurate(II)] |
| title_full | Crystal structure, Hirshfeld surface analysis and physicochemical characterization of bis[4-(dimethylamino)pyridinium] di-μ-chlorido-bis[dichloridomercurate(II)] |
| title_fullStr | Crystal structure, Hirshfeld surface analysis and physicochemical characterization of bis[4-(dimethylamino)pyridinium] di-μ-chlorido-bis[dichloridomercurate(II)] |
| title_full_unstemmed | Crystal structure, Hirshfeld surface analysis and physicochemical characterization of bis[4-(dimethylamino)pyridinium] di-μ-chlorido-bis[dichloridomercurate(II)] |
| title_short | Crystal structure, Hirshfeld surface analysis and physicochemical characterization of bis[4-(dimethylamino)pyridinium] di-μ-chlorido-bis[dichloridomercurate(II)] |
| title_sort | crystal structure hirshfeld surface analysis and physicochemical characterization of bis 4 dimethylamino pyridinium di μ chlorido bis dichloridomercurate ii |
| topic | crystal structure chloromercurate(ii) salt 4-dimethylaminopyridium hirshfeld surface fingerprint plots hybrid compound |
| url | http://scripts.iucr.org/cgi-bin/paper?S2056989019013124 |
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