Information card for entry 8104601

Structure parameters

• Formula: C15 H16 Cl N O2
• Calculated formula: C15 H16 Cl N O2
• Title of publication: Crystal structure of 2-chloro-3-(isopentylamino)naphthalene-1,4-dione, C 15 H 16 ClNO 2
• Authors of publication: Deng, Zu-Shuai; Luo, Peng; Pan, Wei-Gao
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2021
• Journal volume: 236
• Journal issue: 6
• Pages of publication: 1337 - 1339
• a: 7.4339 ± 0.0012 Å
• b: 8.2564 ± 0.0014 Å
• c: 12.184 ± 0.002 Å
• α: 108.804 ± 0.006°
• β: 93.672 ± 0.005°
• γ: 94.373 ± 0.006°
• Cell volume: 702.7 ± 0.2 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 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: 0.1033
• Residual factor for significantly intense reflections: 0.065
• Weighted residual factors for significantly intense reflections: 0.1719
• Weighted residual factors for all reflections included in the refinement: 0.1974
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No