Information card for entry 7160585

Structure parameters

• Formula: C16 H17 N3 O2
• Calculated formula: C16 H17 N3 O2
• Title of publication: Conjugate addition/cyclization of propanal with isatylidene malononitriles: an efficient one-pot organocatalytic approach for the synthesis of 3'-methyl spiro[2<i>H</i>-pyran-3,4'-indoline].
• Authors of publication: Patil, Baliram R.; Nichinde, Chandrakant B.; Girase, Amardipsing S.; Chaudhari, Suryakant S.; Kinage, Anil K.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2025
• Journal volume: 23
• Journal issue: 25
• Pages of publication: 6214 - 6219
• a: 9.303 ± 0.0013 Å
• b: 8.9537 ± 0.0013 Å
• c: 17.411 ± 0.002 Å
• α: 90°
• β: 97.146 ± 0.004°
• γ: 90°
• Cell volume: 1439 ± 0.3 ų
• Cell temperature: 150.15 K
• Ambient diffraction temperature: 150.15 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1001
• Residual factor for significantly intense reflections: 0.0626
• Weighted residual factors for significantly intense reflections: 0.1188
• Weighted residual factors for all reflections included in the refinement: 0.1334
• Goodness-of-fit parameter for all reflections included in the refinement: 1.106
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No