title: The sodium salt of 2-hydroxy-5-nitrobenzylsulfonic acid.
abstract: The structural data for sodium 2-hydroxy-5-nitrobenzylsulfonate monohydrate, Na(+) x C(7)H(6)NO(6)S(-) x H(2)O, which mimics an artificial substrate for human arylsulfatase A, viz. p-nitrocatechol sulfate, reveal that the geometric parameters of the substrate and its analogue are very similar. Two water molecules, the phenolic O atom and three sulfonate O atoms form the coordination sphere of the Na(+) ion, which is a distorted octahedron. The Na(+) cations and the O atoms join to form a chain polymer.
authors.affiliation: Faculty of Chemistry, Jagiellonian University, Ingardena 3, 30-060 Krakòw, Poland. chruszcz@chemia.uj.edu.pl
authors.forename: Maksymilian
authors.initials: M
authors.lastname: Chruszcz
authors.forename: Krzysztof
authors.initials: K
authors.lastname: Lewinski
mesh_terms: D002553:Cerebroside-Sulfatase / Q000737:chemistry*; D018360:Crystallography, X-Ray; D006801:Humans; D006860:Hydrogen Bonding; D008698:Mesylates / Q000737:chemistry*; D008958:Models, Molecular; D008968:Molecular Conformation; D018716:Molecular Mimicry
chemical_list: D008698:Mesylates; C044452:2-hydroxy-5-nitro-alpha-toluenesulfonic acid; D002553:Cerebroside-Sulfatase