N—H...O and C—H...F hydrogen bonds in the incommensurately modulated crystal structure of adamantan‐1‐ammonium 4‐fluorobenzoate
At low temperatures the organic salt adamantan‐1‐ammonium 4‐fluorobenzoate, C10H18N+·C7H4FO2−, possesses an incommensurately modulated crystal structure. The effect of the modulation on the atomic arrangement and intermolecular interactions is studied by analysing single‐crystal X‐ray diffraction da...
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| Veröffentlicht in: | Acta crystallographica Section B, Structural science, crystal engineering and materials Structural science, crystal engineering and materials, 2014-08, Vol.70 (4), p.652-659 |
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| container_title | Acta crystallographica Section B, Structural science, crystal engineering and materials |
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| creator | Schönleber, Andreas van Smaalen, Sander Weiss, Hans‐Christoph Kesel, Andreas J. |
| description | At low temperatures the organic salt adamantan‐1‐ammonium 4‐fluorobenzoate, C10H18N+·C7H4FO2−, possesses an incommensurately modulated crystal structure. The effect of the modulation on the atomic arrangement and intermolecular interactions is studied by analysing single‐crystal X‐ray diffraction data within the (3 + 1)‐dimensional superspace approach and superspace group P21/n(α0γ)00. The modulation strongly affects the position of the atoms as well as their atomic displacement parameters. Nevertheless, the molecular cations and anions are built by rigid moieties, which vary their orientation with respect to each other as a function of the phase of the modulation t. Cations and anions are connected into slabs by dense N—H...O and C—H...F hydrogen‐bonded networks, which are characterized by being rather rigid and which show only a little variation as a function of the phase of the modulation t. |
| doi_str_mv | 10.1107/S2052520614007707 |
| format | Article |
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The effect of the modulation on the atomic arrangement and intermolecular interactions is studied by analysing single‐crystal X‐ray diffraction data within the (3 + 1)‐dimensional superspace approach and superspace group P21/n(α0γ)00. The modulation strongly affects the position of the atoms as well as their atomic displacement parameters. Nevertheless, the molecular cations and anions are built by rigid moieties, which vary their orientation with respect to each other as a function of the phase of the modulation t. 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The effect of the modulation on the atomic arrangement and intermolecular interactions is studied by analysing single‐crystal X‐ray diffraction data within the (3 + 1)‐dimensional superspace approach and superspace group P21/n(α0γ)00. The modulation strongly affects the position of the atoms as well as their atomic displacement parameters. Nevertheless, the molecular cations and anions are built by rigid moieties, which vary their orientation with respect to each other as a function of the phase of the modulation t. Cations and anions are connected into slabs by dense N—H...O and C—H...F hydrogen‐bonded networks, which are characterized by being rather rigid and which show only a little variation as a function of the phase of the modulation t.</abstract><cop>5 Abbey Square, Chester, Cheshire CH1 2HU, England</cop><pub>International Union of Crystallography</pub><doi>10.1107/S2052520614007707</doi><tpages>8</tpages></addata></record> |
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| ispartof | Acta crystallographica Section B, Structural science, crystal engineering and materials, 2014-08, Vol.70 (4), p.652-659 |
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| source | Wiley Online Library - AutoHoldings Journals; Full-Text Journals in Chemistry (Open access); Alma/SFX Local Collection |
| subjects | amantadine congeners Anions Cations Crystal structure Crystallography Diffraction Displacement Hydrogen bonds incommensurately modulated structure Modulation pharmaceutical X-rays |
| title | N—H...O and C—H...F hydrogen bonds in the incommensurately modulated crystal structure of adamantan‐1‐ammonium 4‐fluorobenzoate |
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