Information card for entry 2200676

Structure parameters

• Chemical name: 2-Chlorobenzoxazolo[3,2-b]isoquinolin-6-one
• Formula: C15 H8 Cl N O2
• Calculated formula: C15 H8 Cl N O2
• SMILES: Clc1ccc2N3C(Oc2c1)=Cc1ccccc1C3=O
• Title of publication: 2-Chlorobenzoxazolo[3,2-<i>b</i>]isoquinolin-6-one
• Authors of publication: Thangavel Ravishankar; Kandasamy Chinnakali; A. Senthilvelan; Hoong-Kun Fun; Vayalakkavoor T. Ramakrishnan; Suchada Chantrapromma; Ibrahim Abdul Razak; Anwar Usman
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 12
• Pages of publication: o1209 - o1210
• a: 7.6104 ± 0.0006 Å
• b: 7.8699 ± 0.0007 Å
• c: 9.8571 ± 0.0009 Å
• α: 81.891 ± 0.002°
• β: 83.268 ± 0.002°
• γ: 85.499 ± 0.002°
• Cell volume: 579.29 ± 0.09 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.097
• Residual factor for significantly intense reflections: 0.069
• Weighted residual factors for all reflections included in the refinement: 0.173
• Goodness-of-fit parameter for all reflections included in the refinement: 0.93
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes