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3 citations found for Swamy, V.
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Gemcitabine hydrochloride (2′-deoxy-2′,2′-difluorocytidine hydrochloride), C9H12N3F2O4+·Cl−, is a β-nucleoside that is of pharmaceutical interest as an antitumor agent. The N atom of the cytidine ring is protonated due to salt formation. The sugar residue adopts a C3′-endo and C4′-exo conformation. In the asymmetric unit, gemcitabine cations and chloride ions are linked by N—H
Cl hydrogen bonds. In the crystal structure, screw-related gemcitabine cations are linked by O—H
O hydrogen bonds to form molecular columns along the c axis and adjacent columns are interlinked by N—H
Cl and O—H
Cl hydrogen bonds.
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In the title compound, C33H26Cl3N3OS, the oxadiazole, piperidine and benzothiapezine rings adopt envelope, chair and twist-boat conformations, respectively. In the crystal, the molecular aggregation is characterized by chains of centrosymmetrically related pairs connected through Cl
Cl interactions [3.533 (2) Å], extending parallel to (202).
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The asymmetric unit of the title compound, C30H27F2N3O2, contains two independent molecules. The pyrrolidine five-membered ring assumes an envelope conformation (with the CH2 atom at the flap) in one molecule and a twisted conformation in the other one. In both independent molecules, the 4-piperidinone rings adopt a similar twisted chair conformation. In the crystal, the two independent molecules form an R22(8) dimer through a pair of N—H
O hydrogen bonds; the R22(8) dimers are connected via weak C—H
O hydrogen bonds, leading to a chain extending along the c axis.
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