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

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.

SUBMITTER: Tahir MN 

PROVIDER: S-EPMC4257440 | biostudies-literature | 2014 Dec

REPOSITORIES: biostudies-literature