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Crystal structure of bis-(allyl-ammonium) oxalate.

Dziuk B, Zarychta B, Ejsmont K - Acta Crystallogr Sect E Struct Rep Online (2014)

Bottom Line: One of the oxalate dianions is nearly planar [dihedral angle between CO2 planes = 1.91 (19)°], while the other two are twisted with angles of 11.3 (3) and 26.09 (13)°.One of the allyl-ammonium cations is positionally disordered (fixed occupancy ratio = 0.45:0.55).In the crystal, the cations and anions are connected by a number of strong N-H⋯O and N-H⋯(O,O) hydrogen bonds, forming layers parallel to (001), with the vinyl groups protruding into the space between the layers.

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Affiliation: Faculty of Chemistry, University of Opole, Oleska 48, 45-052 Opole, Poland.

ABSTRACT
The title salt, 2C3H8N(+)·C2O4 (2-), crystallized with six independent allyl-ammonium cations and three independent oxalate dianions in the asymmetric unit. One of the oxalate dianions is nearly planar [dihedral angle between CO2 planes = 1.91 (19)°], while the other two are twisted with angles of 11.3 (3) and 26.09 (13)°. One cation has a synperiplanar (cis) conformation with an N-C-C-C torsion angle of 0.9 (3)°, whereas the five remaining cations are characterized by gauche arrangements, with the N-C-C-C torsion angles ranging from 115.9 (12) to 128.8 (3)°. One of the allyl-ammonium cations is positionally disordered (fixed occupancy ratio = 0.45:0.55). In the crystal, the cations and anions are connected by a number of strong N-H⋯O and N-H⋯(O,O) hydrogen bonds, forming layers parallel to (001), with the vinyl groups protruding into the space between the layers.

No MeSH data available.


Related in: MedlinePlus

The molecular structure of the asymmetric unit of the title salt, with atom labelling. Displacement ellipsoids are drawn at the 50% probability level. One of the allylammonium cations is positionally disorded and only the major components, atoms C17B and C18B, are shown for clarity.
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Fap1: The molecular structure of the asymmetric unit of the title salt, with atom labelling. Displacement ellipsoids are drawn at the 50% probability level. One of the allylammonium cations is positionally disorded and only the major components, atoms C17B and C18B, are shown for clarity.


Crystal structure of bis-(allyl-ammonium) oxalate.

Dziuk B, Zarychta B, Ejsmont K - Acta Crystallogr Sect E Struct Rep Online (2014)

The molecular structure of the asymmetric unit of the title salt, with atom labelling. Displacement ellipsoids are drawn at the 50% probability level. One of the allylammonium cations is positionally disorded and only the major components, atoms C17B and C18B, are shown for clarity.
© Copyright Policy - open-access
Related In: Results  -  Collection

License
Show All Figures
getmorefigures.php?uid=PMC4257458&req=5

Fap1: The molecular structure of the asymmetric unit of the title salt, with atom labelling. Displacement ellipsoids are drawn at the 50% probability level. One of the allylammonium cations is positionally disorded and only the major components, atoms C17B and C18B, are shown for clarity.
Bottom Line: One of the oxalate dianions is nearly planar [dihedral angle between CO2 planes = 1.91 (19)°], while the other two are twisted with angles of 11.3 (3) and 26.09 (13)°.One of the allyl-ammonium cations is positionally disordered (fixed occupancy ratio = 0.45:0.55).In the crystal, the cations and anions are connected by a number of strong N-H⋯O and N-H⋯(O,O) hydrogen bonds, forming layers parallel to (001), with the vinyl groups protruding into the space between the layers.

View Article: PubMed Central - HTML - PubMed

Affiliation: Faculty of Chemistry, University of Opole, Oleska 48, 45-052 Opole, Poland.

ABSTRACT
The title salt, 2C3H8N(+)·C2O4 (2-), crystallized with six independent allyl-ammonium cations and three independent oxalate dianions in the asymmetric unit. One of the oxalate dianions is nearly planar [dihedral angle between CO2 planes = 1.91 (19)°], while the other two are twisted with angles of 11.3 (3) and 26.09 (13)°. One cation has a synperiplanar (cis) conformation with an N-C-C-C torsion angle of 0.9 (3)°, whereas the five remaining cations are characterized by gauche arrangements, with the N-C-C-C torsion angles ranging from 115.9 (12) to 128.8 (3)°. One of the allyl-ammonium cations is positionally disordered (fixed occupancy ratio = 0.45:0.55). In the crystal, the cations and anions are connected by a number of strong N-H⋯O and N-H⋯(O,O) hydrogen bonds, forming layers parallel to (001), with the vinyl groups protruding into the space between the layers.

No MeSH data available.


Related in: MedlinePlus