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Crystal structure of 4-(3-carb-oxy-pro-pan-amido)-2-hy-droxy-benzoic acid mono-hydrate.

Tahir MN, Ahmed MN, Butt AF, Shad HA - Acta Crystallogr Sect E Struct Rep Online (2014)

Bottom Line: In the title hydrate, C11H11NO6·H2O, the organic mol-ecule is approximately planar (r.m.s. deviation for the non-H atoms = 0.129 Å) and an intra-molecular O-H⋯O hydrogen bond closes an S(6) ring.In the crystal, the benzoic acid group participates in an O-H⋯O hydrogen bond to the water mol-ecule and accepts a similar bond from another water mol-ecule.These bonds, along with N-H⋯O and C-H⋯O inter-actions, generate a three-dimensional network.

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Affiliation: Department of Physics, University of Sargodha, Sargodha, Punjab, Pakistan.

ABSTRACT
In the title hydrate, C11H11NO6·H2O, the organic mol-ecule is approximately planar (r.m.s. deviation for the non-H atoms = 0.129 Å) and an intra-molecular O-H⋯O hydrogen bond closes an S(6) ring. In the crystal, the benzoic acid group participates in an O-H⋯O hydrogen bond to the water mol-ecule and accepts a similar bond from another water mol-ecule. The other -CO2H group forms a carb-oxy-lic acid inversion dimer, thereby forming an R 2 (2)(8) loop. These bonds, along with N-H⋯O and C-H⋯O inter-actions, generate a three-dimensional network.

No MeSH data available.


Related in: MedlinePlus

View of the title compound with displacement ellipsoids drawn at the 50% probability level.
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Fap1: View of the title compound with displacement ellipsoids drawn at the 50% probability level.


Crystal structure of 4-(3-carb-oxy-pro-pan-amido)-2-hy-droxy-benzoic acid mono-hydrate.

Tahir MN, Ahmed MN, Butt AF, Shad HA - Acta Crystallogr Sect E Struct Rep Online (2014)

View of the title compound with displacement ellipsoids drawn at the 50% probability level.
© Copyright Policy - open-access
Related In: Results  -  Collection

License
Show All Figures
getmorefigures.php?uid=PMC4257440&req=5

Fap1: View of the title compound with displacement ellipsoids drawn at the 50% probability level.
Bottom Line: In the title hydrate, C11H11NO6·H2O, the organic mol-ecule is approximately planar (r.m.s. deviation for the non-H atoms = 0.129 Å) and an intra-molecular O-H⋯O hydrogen bond closes an S(6) ring.In the crystal, the benzoic acid group participates in an O-H⋯O hydrogen bond to the water mol-ecule and accepts a similar bond from another water mol-ecule.These bonds, along with N-H⋯O and C-H⋯O inter-actions, generate a three-dimensional network.

View Article: PubMed Central - HTML - PubMed

Affiliation: Department of Physics, University of Sargodha, Sargodha, Punjab, Pakistan.

ABSTRACT
In the title hydrate, C11H11NO6·H2O, the organic mol-ecule is approximately planar (r.m.s. deviation for the non-H atoms = 0.129 Å) and an intra-molecular O-H⋯O hydrogen bond closes an S(6) ring. In the crystal, the benzoic acid group participates in an O-H⋯O hydrogen bond to the water mol-ecule and accepts a similar bond from another water mol-ecule. The other -CO2H group forms a carb-oxy-lic acid inversion dimer, thereby forming an R 2 (2)(8) loop. These bonds, along with N-H⋯O and C-H⋯O inter-actions, generate a three-dimensional network.

No MeSH data available.


Related in: MedlinePlus