title: Racemic 2-isopropyl-3-(2-nitrobenzyl)-1,3-thiazolidin-4-one crystallizes in the space group P2(1)2(1)2(1) with Z' = 2: two different interpenetrating three-dimensional frameworks formed by C-H...O hydrogen bonds.
abstract: rac-2-Isopropyl-3-(2-nitrobenzyl)-1,3-thiadiazolin-4-one, C(13)H(16)N(2)O(3)S, is a rare example of a racemate crystallizing in the space group P2(1)2(1)2(1), with one molecule each of S and R configurations, whose conformations are almost mirror images, within the asymmetric unit. The molecules of S configuration are linked by two C-H...O hydrogen bonds into a three-dimensional framework, and the molecules of R configuration are linked by two further C-H...O hydrogen bonds into a different type of three-dimensional framework; the two frameworks are linked by a fifth C-H...O hydrogen bond.
authors.affiliation: Instituto de Tecnologia em Fármacos, Far-Manguinhos, FIOCRUZ, 21041-250 Rio de Janeiro, RJ, Brazil.
authors.forename: Wilson
authors.initials: W
authors.lastname: Cunico
authors.forename: Claudia R B
authors.initials: CR
authors.lastname: Gomes
authors.forename: Solange M S V
authors.initials: SM
authors.lastname: Wardell
authors.forename: John N
authors.initials: JN
authors.lastname: Low
authors.forename: Christopher
authors.initials: C
authors.lastname: Glidewell
mesh_terms: D018360:Crystallography, X-Ray; D006859:Hydrogen / Q000737:chemistry; D006860:Hydrogen Bonding; D008958:Models, Molecular; D008968:Molecular Conformation; D013237:Stereoisomerism; D053778:Thiazolidines / Q000737:chemistry*
chemical_list: C523141:2-isopropyl-3-(2-nitrobenzyl)-1,3-thiazolidin-4-one; D053778:Thiazolidines; D006859:Hydrogen