Information card for entry 1574634

Structure parameters

• Chemical name: 2'-Amino-5'-benzoyl-5-bromo-6'-methyl-2-oxospiro[indoline-3,4'-pyran]-3'-carbonitrile
• Formula: C21 H14 Br N3 O3
• Calculated formula: C21 H14 Br N3 O3
• Title of publication: 2′-Amino-5′-benzoyl-5-bromo-6′-methyl-2-oxospiro[indoline-3,4′-pyran]-3′-carbonitrile
• Authors of publication: Naghiyev, Farid N.; Hökelek, Tuncer; Khrustalev, Victor N.; Khalilov, Ali N.; Belay, Alebel N.
• Journal of publication: IUCrData
• Year of publication: 2025
• Journal volume: 10
• Journal issue: 5
• Pages of publication: x250374
• a: 7.4809 ± 0.0002 Å
• b: 10.5655 ± 0.0002 Å
• c: 12.0412 ± 0.0003 Å
• α: 97.593 ± 0.002°
• β: 104.947 ± 0.002°
• γ: 94.357 ± 0.002°
• Cell volume: 905.43 ± 0.04 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0416
• Residual factor for significantly intense reflections: 0.0403
• Weighted residual factors for significantly intense reflections: 0.1157
• Weighted residual factors for all reflections included in the refinement: 0.1173
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No