Information card for entry 7238747

Structure parameters

• Chemical name: (2-Amino-3-cyano-4H-chromene-4-yl)malononitrile
• Formula: C13 H8 N4 O
• Calculated formula: C13 H8 N4 O
• Title of publication: Condensation of malononitrile with salicylaldehydes and o-aminobenzaldehydes revisited: solvent and catalyst free synthesis of 4H-chromenes and quinolines
• Authors of publication: Bhat, Subrahmanya Ishwar; Choudhury, Angshuman Roy; Trivedi, Darshak R.
• Journal of publication: RSC Advances
• Year of publication: 2012
• Journal volume: 2
• Journal issue: 28
• Pages of publication: 10556
• a: 5.6073 ± 0.0008 Å
• b: 8.1748 ± 0.0011 Å
• c: 12.5 ± 0.0017 Å
• α: 103.057 ± 0.007°
• β: 90.883 ± 0.008°
• γ: 96.555 ± 0.008°
• Cell volume: 554.02 ± 0.13 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0586
• Residual factor for significantly intense reflections: 0.054
• Weighted residual factors for significantly intense reflections: 0.1463
• Weighted residual factors for all reflections included in the refinement: 0.1526
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No