'Segmented' crystals solved using synchrotron radiation: (2S,3R,4S,5R)-4-(10,10-dimethyl-3,3-dioxo-3lambda6-thia-4-azatricyclo[5.2.1.0(1,5)]decan-4-ylcarbonyl)-2,6-diphenylperhydropyrrolo[3,4-c]pyrrole-1,3-dione.
The title compound, C(29)H(31)N(3)O(5)S, forms needle-shaped ;segmented' crystals, thereby inhibiting successful single-crystal data collection using conventional laboratory facilities. One crystallite of dimensions 0.15 x 0.03 x 0.01 mm yielded sufficent single-crystal diffraction data on the Australian Synchrotron PX1 beamline. The two independent molecules in the asymmetric unit are nearly superimposable and show only minor conformational deviations from closely related compounds. The molecules pack using one N-H...O hydrogen bond and several phenyl C-H...O(=S), phenyl C-H...O(=C) and methylene C-H...O(=C) hydrogen bonds and weak C-H...pi interactions.
Gainsford
Graeme J
GJ
Industrial Research Limited, PO Box 31-310, Lower Hutt, New Zealand. g.gainsford@irl.cri.nz
Mee
Simon P H
SP
Luxenburger
Andreas
A
D018360:Crystallography, X-Ray; D006575:Heterocyclic Compounds, 3-Ring / Q000737:chemistry*; D006860:Hydrogen Bonding; D008958:Models, Molecular; D015394:Molecular Structure; D011758:Pyrroles / Q000737:chemistry*
C542973:4-(10,10-dimethyl-3,3-dioxo-3 lambda6-thia-4-azatricyclo(5.2.1.0(1,5))decan-4-ylcarbonyl)-2,6-diphenylperhydropyrrolo(3,4-c)pyrrole-1,3-dione; D006575:Heterocyclic Compounds, 3-Ring; D011758:Pyrroles