Information card for entry 4502706

Structure parameters

• Common name: Medazolam
• Formula: C18 H13 Cl F N3
• Calculated formula: C18 H13 Cl F N3
• SMILES: Clc1ccc2n3c(CN=C(c4c(F)cccc4)c2c1)cnc3C
• Title of publication: A Device to Crystallize Organic Solids: Structure of Ciprofloxacin, Midazolam, and Ofloxacin as Targets
• Authors of publication: Mahapatra, Sudarshan; Venugopala, K. N.; Guru Row, Tayur N.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2010
• Journal volume: 10
• Journal issue: 4
• Pages of publication: 1866
• a: 7.5588 ± 0.0003 Å
• b: 13.684 ± 0.0005 Å
• c: 15.1242 ± 0.0008 Å
• α: 90°
• β: 92.497 ± 0.005°
• γ: 90°
• Cell volume: 1562.88 ± 0.12 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1328
• Residual factor for significantly intense reflections: 0.0453
• Weighted residual factors for significantly intense reflections: 0.0902
• Weighted residual factors for all reflections included in the refinement: 0.1029
• Goodness-of-fit parameter for all reflections included in the refinement: 0.811
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No