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Crystal structure of bis-(propane-1,3-diaminium) hexa-fluorido-aluminate di-aqua-tetra-fluorido-aluminate tetra-hydrate.

Abdi I, Al-Sadhan K, Ben Ali A - Acta Crystallogr Sect E Struct Rep Online (2014)

Bottom Line: The asymmetric unit contains a quarter each of two crystallographically independent propane-1,3-di-ammonium dicat-ions, [AlF6](3-) and [AlF4(H2O)2](-) anions and four water mol-ecules.The cations, anions and three of the independent water mol-ecules are situated on special positions mm, while the fourth water mol-ecule is disordered about a mirror plane.In the crystal, inter-molecular N-H⋯F and O-H⋯F hydrogen bonds link the cations and anions into a three-dimensional framework with the voids filled by water mol-ecules, which generate O-H⋯O hydrogen bonds and further consolidate the packing.

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Affiliation: Université de Carthage, Faculté des Sciences de Bizerte, UR11ES30, 7021 Jarzouna, Tunisia.

ABSTRACT
The title compound, (C3H12N2)2[AlF6][AlF4(H2O)2]·4H2O, was obtained by a solvothermal method in ethanol as solvent and with aluminium hydroxide, HF and 1,3-di-amino-propane as educts. The asymmetric unit contains a quarter each of two crystallographically independent propane-1,3-di-ammonium dicat-ions, [AlF6](3-) and [AlF4(H2O)2](-) anions and four water mol-ecules. The cations, anions and three of the independent water mol-ecules are situated on special positions mm, while the fourth water mol-ecule is disordered about a mirror plane. In the crystal, inter-molecular N-H⋯F and O-H⋯F hydrogen bonds link the cations and anions into a three-dimensional framework with the voids filled by water mol-ecules, which generate O-H⋯O hydrogen bonds and further consolidate the packing.

No MeSH data available.


The crystal packing of the title compound, viewed approximately along [001].
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fig3: The crystal packing of the title compound, viewed approximately along [001].

Mentions: Each [AlF4(H2O)2] octa­hedron is linked via N—H⋯F or O—H⋯F hydrogen bonds (Table 1 ▶) to one type of the organic cations (Fig. 2 ▶), with the formation of infinite chains parallel to the a axis. These chains are linked to each other by the AlF63− dications and form infinite (H2dap)[AlF4(H2O)2] layers parallel to the ac plane (Fig. 3 ▶) . These layers are connected by the second organic cations and form a three-dimensional framework showing cavities, which are filled with the lattice water mol­ecules.


Crystal structure of bis-(propane-1,3-diaminium) hexa-fluorido-aluminate di-aqua-tetra-fluorido-aluminate tetra-hydrate.

Abdi I, Al-Sadhan K, Ben Ali A - Acta Crystallogr Sect E Struct Rep Online (2014)

The crystal packing of the title compound, viewed approximately along [001].
© Copyright Policy - open-access
Related In: Results  -  Collection

License
Show All Figures
getmorefigures.php?uid=PMC4257444&req=5

fig3: The crystal packing of the title compound, viewed approximately along [001].
Mentions: Each [AlF4(H2O)2] octa­hedron is linked via N—H⋯F or O—H⋯F hydrogen bonds (Table 1 ▶) to one type of the organic cations (Fig. 2 ▶), with the formation of infinite chains parallel to the a axis. These chains are linked to each other by the AlF63− dications and form infinite (H2dap)[AlF4(H2O)2] layers parallel to the ac plane (Fig. 3 ▶) . These layers are connected by the second organic cations and form a three-dimensional framework showing cavities, which are filled with the lattice water mol­ecules.

Bottom Line: The asymmetric unit contains a quarter each of two crystallographically independent propane-1,3-di-ammonium dicat-ions, [AlF6](3-) and [AlF4(H2O)2](-) anions and four water mol-ecules.The cations, anions and three of the independent water mol-ecules are situated on special positions mm, while the fourth water mol-ecule is disordered about a mirror plane.In the crystal, inter-molecular N-H⋯F and O-H⋯F hydrogen bonds link the cations and anions into a three-dimensional framework with the voids filled by water mol-ecules, which generate O-H⋯O hydrogen bonds and further consolidate the packing.

View Article: PubMed Central - HTML - PubMed

Affiliation: Université de Carthage, Faculté des Sciences de Bizerte, UR11ES30, 7021 Jarzouna, Tunisia.

ABSTRACT
The title compound, (C3H12N2)2[AlF6][AlF4(H2O)2]·4H2O, was obtained by a solvothermal method in ethanol as solvent and with aluminium hydroxide, HF and 1,3-di-amino-propane as educts. The asymmetric unit contains a quarter each of two crystallographically independent propane-1,3-di-ammonium dicat-ions, [AlF6](3-) and [AlF4(H2O)2](-) anions and four water mol-ecules. The cations, anions and three of the independent water mol-ecules are situated on special positions mm, while the fourth water mol-ecule is disordered about a mirror plane. In the crystal, inter-molecular N-H⋯F and O-H⋯F hydrogen bonds link the cations and anions into a three-dimensional framework with the voids filled by water mol-ecules, which generate O-H⋯O hydrogen bonds and further consolidate the packing.

No MeSH data available.