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.
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.
Cunico
Wilson
W
Instituto de Tecnologia em Fármacos, Far-Manguinhos, FIOCRUZ, 21041-250 Rio de Janeiro, RJ, Brazil.
Gomes
Claudia R B
CR
Wardell
Solange M S V
SM
Low
John N
JN
Glidewell
Christopher
C
D018360:Crystallography, X-Ray; D006859:Hydrogen / Q000737:chemistry; D006860:Hydrogen Bonding; D008958:Models, Molecular; D008968:Molecular Conformation; D013237:Stereoisomerism; D053778:Thiazolidines / Q000737:chemistry*
C523141:2-isopropyl-3-(2-nitrobenzyl)-1,3-thiazolidin-4-one; D053778:Thiazolidines; D006859:Hydrogen