Information card for entry 7202352

Structure parameters

• Common name: Lamivudine + Zidovudine hydrate
• Chemical name: Lamivudine + Zidovudine hydrate
• Formula: C18 H26 N8 O8 S
• Calculated formula: C18 H26 N8 O8 S
• SMILES: S1C[C@H](O[C@H]1CO)n1c(=O)nc(N)cc1.N1([C@@H]2O[C@@H]([C@@H](N=N#N)C2)CO)C=C(C(=O)NC1=O)C.O
• Title of publication: Co-crystal formation and the determination of absolute configuration
• Authors of publication: Bhatt, Prashant M.; Desiraju, Gautam R.
• Journal of publication: CrystEngComm
• Year of publication: 2008
• Journal volume: 10
• Journal issue: 12
• Pages of publication: 1747
• a: 8.6899 ± 0.001 Å
• b: 7.2501 ± 0.0009 Å
• c: 18.504 ± 0.002 Å
• α: 90°
• β: 92.506 ± 0.002°
• γ: 90°
• Cell volume: 1164.7 ± 0.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0408
• Residual factor for significantly intense reflections: 0.0374
• Weighted residual factors for significantly intense reflections: 0.0965
• Weighted residual factors for all reflections included in the refinement: 0.0993
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No