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1-{[4'-(1H-1,2,4-Triazol-2-ium-1-ylmeth-yl)biphenyl-4-yl]meth-yl}-1H-1,2,4-triazol-2-ium bis-(3-carb-oxy-5-iodo-benzoate)-5-iodo-benzene-3,5-dicarb-oxy-lic acid-water (1/2/2).

Zhang KL, Deng Y, Ng SW - Acta Crystallogr Sect E Struct Rep Online (2012)

Bottom Line: The neutral carb-oxy-lic acid mol-ecule and the carboxyl-ate anion in the title compound, C(18)H(18)N(6) (2+)·2C(8)H(4)IO(4) (-)·2C(8)H(5)IO(4)·2H(2)O, are both nearly planar (r.m.s. deviations = 0.034 and 0.045 Å, respectively).In the crystal, the cations, anions, carb-oxy-lic acid and lattice water mol-ecules are linked by N-H⋯O, O-H⋯N and O-H⋯O hydrogen bonds, generating a ribbon running along [1-10].The crystal studied was a non-merohedral twin with the components in a 51.2 (1):48.8 (1) ratio.

View Article: PubMed Central - HTML - PubMed

ABSTRACT
The neutral carb-oxy-lic acid mol-ecule and the carboxyl-ate anion in the title compound, C(18)H(18)N(6) (2+)·2C(8)H(4)IO(4) (-)·2C(8)H(5)IO(4)·2H(2)O, are both nearly planar (r.m.s. deviations = 0.034 and 0.045 Å, respectively). In the cation, the mid-point of the C-C bond linking the two benzene rings lies on a center of inversion, and the triazole ring is approximately perpendicular to the adjacent benzene ring [dihedral angle = 83.2 (3)°]. In the crystal, the cations, anions, carb-oxy-lic acid and lattice water mol-ecules are linked by N-H⋯O, O-H⋯N and O-H⋯O hydrogen bonds, generating a ribbon running along [1-10]. The crystal studied was a non-merohedral twin with the components in a 51.2 (1):48.8 (1) ratio.

No MeSH data available.


Related in: MedlinePlus

Hydrogen-bond ribbon structure.
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Fap2: Hydrogen-bond ribbon structure.


1-{[4'-(1H-1,2,4-Triazol-2-ium-1-ylmeth-yl)biphenyl-4-yl]meth-yl}-1H-1,2,4-triazol-2-ium bis-(3-carb-oxy-5-iodo-benzoate)-5-iodo-benzene-3,5-dicarb-oxy-lic acid-water (1/2/2).

Zhang KL, Deng Y, Ng SW - Acta Crystallogr Sect E Struct Rep Online (2012)

Hydrogen-bond ribbon structure.
© Copyright Policy - open-access
Related In: Results  -  Collection

License
Show All Figures
getmorefigures.php?uid=PMC3344494&req=5

Fap2: Hydrogen-bond ribbon structure.
Bottom Line: The neutral carb-oxy-lic acid mol-ecule and the carboxyl-ate anion in the title compound, C(18)H(18)N(6) (2+)·2C(8)H(4)IO(4) (-)·2C(8)H(5)IO(4)·2H(2)O, are both nearly planar (r.m.s. deviations = 0.034 and 0.045 Å, respectively).In the crystal, the cations, anions, carb-oxy-lic acid and lattice water mol-ecules are linked by N-H⋯O, O-H⋯N and O-H⋯O hydrogen bonds, generating a ribbon running along [1-10].The crystal studied was a non-merohedral twin with the components in a 51.2 (1):48.8 (1) ratio.

View Article: PubMed Central - HTML - PubMed

ABSTRACT
The neutral carb-oxy-lic acid mol-ecule and the carboxyl-ate anion in the title compound, C(18)H(18)N(6) (2+)·2C(8)H(4)IO(4) (-)·2C(8)H(5)IO(4)·2H(2)O, are both nearly planar (r.m.s. deviations = 0.034 and 0.045 Å, respectively). In the cation, the mid-point of the C-C bond linking the two benzene rings lies on a center of inversion, and the triazole ring is approximately perpendicular to the adjacent benzene ring [dihedral angle = 83.2 (3)°]. In the crystal, the cations, anions, carb-oxy-lic acid and lattice water mol-ecules are linked by N-H⋯O, O-H⋯N and O-H⋯O hydrogen bonds, generating a ribbon running along [1-10]. The crystal studied was a non-merohedral twin with the components in a 51.2 (1):48.8 (1) ratio.

No MeSH data available.


Related in: MedlinePlus