Information card for entry 2311121

Structure parameters

• Chemical name: 1-{(<i>Z</i>)-[(2,3-Dihydroxypropyl)amino]methylidene}naphthalen- 2(1<i>H</i>)-one
• Formula: C14 H15 N O3
• Calculated formula: C14 H15 N O3
• Title of publication: 1-{(Z)-[(2,3-Dihy-droxy-prop-yl)amino]-methyl-idene}naphthalen-2(1H)-one.
• Authors of publication: Akkurt, Mehmet; Horton, Peter N.; Mohamed, Shaaban K.; Abdelhamid, Antar A.; Remaily, Mahmoud A A El
• Journal of publication: Acta crystallographica. Section E, Structure reports online
• Year of publication: 2013
• Journal volume: 69
• Journal issue: Pt 1
• Pages of publication: o136 - 7
• a: 23.452 ± 0.016 Å
• b: 5.809 ± 0.004 Å
• c: 8.739 ± 0.006 Å
• α: 90°
• β: 96.445 ± 0.007°
• γ: 90°
• Cell volume: 1183 ± 1.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0637
• Residual factor for significantly intense reflections: 0.0579
• Weighted residual factors for significantly intense reflections: 0.1521
• Weighted residual factors for all reflections included in the refinement: 0.1563
• Goodness-of-fit parameter for all reflections included in the refinement: 1.113
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No