Information card for entry 1546692

Structure parameters

• Chemical name: <i>N</i>-[(<i>E</i>)-(3-Methylbenzylidene)amino]-6-(morpholin-4-yl)-2-[2-(pyridin-2-yl)ethoxy]pyrimidin-4-amine
• Formula: C23 H26 N6 O2
• Calculated formula: C23 H26 N6 O2
• SMILES: O(c1nc(N/N=C/c2cc(ccc2)C)cc(n1)N1CCOCC1)CCc1ncccc1
• Title of publication: Apilimod
• Authors of publication: Morris, Patrick J.; Moore, Curtis; Thomas, Craig J.
• Journal of publication: IUCrData
• Year of publication: 2017
• Journal volume: 2
• Journal issue: 5
• Pages of publication: x170693
• a: 14.9353 ± 0.0005 Å
• b: 15.0367 ± 0.0005 Å
• c: 19.4231 ± 0.0007 Å
• α: 90°
• β: 98.13 ± 0.002°
• γ: 90°
• Cell volume: 4318.2 ± 0.3 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0442
• Residual factor for significantly intense reflections: 0.0379
• Weighted residual factors for significantly intense reflections: 0.0983
• Weighted residual factors for all reflections included in the refinement: 0.103
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes