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Bis(N,N',N''-triisopropyl-guanidinium) fumarate-fumaric acid (1/1).

Said FF, Ali BF, Richeson D, Korobkov I - Acta Crystallogr Sect E Struct Rep Online (2012)

Bottom Line: The asymmetric unit of the title compound, C(10)H(24)N(3) (+)·0.5C(4)H(2)O(4) (2-)·0.5C(4)H(4)O(4), comprises a triisopropyl-guanidinium cation, half of a fumarate dianion and half of a fumaric acid mol-ecule; both the fumarate dianion and the fumaric acid mol-ecule are located on inversion centres.The triisopropyl-guanidinium cations inter-act with the fumarate-fumaric acid chains via extensive N-H⋯O and C-H⋯O hydrogen bonds, leading to a ladder arrangement, with the cation being the rungs that bridge three curled chains of fumarate-fumaric acid.The crystal packing is stabilized by N-H⋯O and C-H⋯O (cation⋯fumarate/fumaric) and O-H⋯O (fumarate⋯fumaric) hydrogen bonds, consolidating a three-dimensional network.

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ABSTRACT
The asymmetric unit of the title compound, C(10)H(24)N(3) (+)·0.5C(4)H(2)O(4) (2-)·0.5C(4)H(4)O(4), comprises a triisopropyl-guanidinium cation, half of a fumarate dianion and half of a fumaric acid mol-ecule; both the fumarate dianion and the fumaric acid mol-ecule are located on inversion centres. In the crystal, inter-molecular O-H⋯O hydrogen bonds between the carboxyl groups of the fumaric acid mol-ecules and the carboxyl-ate groups of the fumarate anions lead to the formation of a hydrogen-bonded supra-molecular twisted chain along the b axis. The triisopropyl-guanidinium cations inter-act with the fumarate-fumaric acid chains via extensive N-H⋯O and C-H⋯O hydrogen bonds, leading to a ladder arrangement, with the cation being the rungs that bridge three curled chains of fumarate-fumaric acid. The crystal packing is stabilized by N-H⋯O and C-H⋯O (cation⋯fumarate/fumaric) and O-H⋯O (fumarate⋯fumaric) hydrogen bonds, consolidating a three-dimensional network.

No MeSH data available.


Related in: MedlinePlus

The molecular structure of the title compound with the atom numbering scheme. Displacement ellipsoids are drawn at the 50% probability level. H atoms are presented as small spheres of arbitrary radius. Symmetry operations: (i) 2 -x,-y, 1 -z; (ii) -x, 1 -y, 1 -z.
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Fap1: The molecular structure of the title compound with the atom numbering scheme. Displacement ellipsoids are drawn at the 50% probability level. H atoms are presented as small spheres of arbitrary radius. Symmetry operations: (i) 2 -x,-y, 1 -z; (ii) -x, 1 -y, 1 -z.


Bis(N,N',N''-triisopropyl-guanidinium) fumarate-fumaric acid (1/1).

Said FF, Ali BF, Richeson D, Korobkov I - Acta Crystallogr Sect E Struct Rep Online (2012)

The molecular structure of the title compound with the atom numbering scheme. Displacement ellipsoids are drawn at the 50% probability level. H atoms are presented as small spheres of arbitrary radius. Symmetry operations: (i) 2 -x,-y, 1 -z; (ii) -x, 1 -y, 1 -z.
© Copyright Policy - open-access
Related In: Results  -  Collection

License
Show All Figures
getmorefigures.php?uid=PMC3379463&req=5

Fap1: The molecular structure of the title compound with the atom numbering scheme. Displacement ellipsoids are drawn at the 50% probability level. H atoms are presented as small spheres of arbitrary radius. Symmetry operations: (i) 2 -x,-y, 1 -z; (ii) -x, 1 -y, 1 -z.
Bottom Line: The asymmetric unit of the title compound, C(10)H(24)N(3) (+)·0.5C(4)H(2)O(4) (2-)·0.5C(4)H(4)O(4), comprises a triisopropyl-guanidinium cation, half of a fumarate dianion and half of a fumaric acid mol-ecule; both the fumarate dianion and the fumaric acid mol-ecule are located on inversion centres.The triisopropyl-guanidinium cations inter-act with the fumarate-fumaric acid chains via extensive N-H⋯O and C-H⋯O hydrogen bonds, leading to a ladder arrangement, with the cation being the rungs that bridge three curled chains of fumarate-fumaric acid.The crystal packing is stabilized by N-H⋯O and C-H⋯O (cation⋯fumarate/fumaric) and O-H⋯O (fumarate⋯fumaric) hydrogen bonds, consolidating a three-dimensional network.

View Article: PubMed Central - HTML - PubMed

ABSTRACT
The asymmetric unit of the title compound, C(10)H(24)N(3) (+)·0.5C(4)H(2)O(4) (2-)·0.5C(4)H(4)O(4), comprises a triisopropyl-guanidinium cation, half of a fumarate dianion and half of a fumaric acid mol-ecule; both the fumarate dianion and the fumaric acid mol-ecule are located on inversion centres. In the crystal, inter-molecular O-H⋯O hydrogen bonds between the carboxyl groups of the fumaric acid mol-ecules and the carboxyl-ate groups of the fumarate anions lead to the formation of a hydrogen-bonded supra-molecular twisted chain along the b axis. The triisopropyl-guanidinium cations inter-act with the fumarate-fumaric acid chains via extensive N-H⋯O and C-H⋯O hydrogen bonds, leading to a ladder arrangement, with the cation being the rungs that bridge three curled chains of fumarate-fumaric acid. The crystal packing is stabilized by N-H⋯O and C-H⋯O (cation⋯fumarate/fumaric) and O-H⋯O (fumarate⋯fumaric) hydrogen bonds, consolidating a three-dimensional network.

No MeSH data available.


Related in: MedlinePlus