A co-crystal of nona­hydrated disodium(II) with mixed anions from m-chloro­benzoic acid and furosemide

Acta Crystallographica Section E: Crystallographic Communications

Uppu, R.M.¹  London, B.K.²  Claville, M.O.F.³  Fronczek, F.R.⁴  Babu, S.⁴ 

[1] Department of Chemistry, Louisiana State University, Baton Rouge, LA 70803-1804, USA;Environmental Toxicology PhD Program and the Health Research Center, Southern University and A&M College, Baton Rouge, LA 70813, USA;School of Science, Hampton University, Hampton, VA 23668, USA

关键词: CRYSTAL STRUCTURE;    LOOP DIURETICS;    CO-CRYSTALS;    PHARMACEUTICAL FORMULATIONS;    HYDROGEN BONDING;   

DOI  :  10.1107/S2056989015017430

学科分类：数学（综合）

来源: International Union of Crystallography

【 摘 要 】

In the title compound, [Na2(H2O)9](C7H4ClO2)(C12H10ClN2O5S) {systematic name: catena-poly[[[triaquasodium(I)]-di-μ-aqua-[triaquasodium(I)]-μ-aqua] 3-chlorobenzoate 4-chloro-2-[(furan-2-ylmethyl)amino]-5-sulfamoylbenzoate]}, both theoriginal m-chloro­benzoic acid and furosemide exist with deprotonated carboxyl­ates, and the sodium cations and water mol­ecules exist in chains with stoichiometry [Na2(OH2)9]2+ that propagate in the [-110] direction. Each of the two independent Na+ ions is coordinated by three monodentate water mol­ecules, two double-water bridges, and one single-water bridge. There is considerable cross-linking between the [Na2(OH2)9]2+ chains and to furosemide sulfonamide and carboxyl­ate by inter­molecular O—H⋯O hydrogen bonds. All hydrogen-bond donors participate in a complex two-dimensional array parallel to the ab plane. The furosemide NH group donates an intra­molecular hydrogen bond to the carboxyl­ate group, and the furosemide NH2 group donates an intra­molecular hydrogen bond to the Cl atom and an inter­molecular one to the m-chloro­benzoate O atom. The plethora of hydrogen-bond donors on the cation/water chain leads to many large rings, up to graph set R44(24), involving two chains and two furosemide anions. The chloro­benzoate is involved in only one R22(8) ring, with two water mol­ecules cis-coordinated to Na. The furan O atom is not hydrogen bonded.

【 授权许可】

CC BY