Information card for entry 2000293

Structure parameters

• Formula: C20 H22 N4 O2
• Calculated formula: C18 H18 N4 O4
• SMILES: Cc1cc(C)nc(n1)N/C=C1\N=C(OC1=O)c1ccccc1.CC(=O)O
• Title of publication: Structure of the 1:1 adduct of 2-phenyl-4-(4,6-dimethyl-2-pyrimidinyl)aminomethylene-5(4<i>H</i>)-oxazolone and acetic acid
• Authors of publication: Leban, I.; Svete, J.; Stanovnik, B.; Tišler, M.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1991
• Journal volume: 47
• Journal issue: 7
• Pages of publication: 1552 - 1554
• a: 12.768 ± 0.002 Å
• b: 7.416 ± 0.003 Å
• c: 19.206 ± 0.003 Å
• α: 90°
• β: 98.71 ± 0.01°
• γ: 90°
• Cell volume: 1797.6 ± 0.8 ų
• Number of distinct elements: 4
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: Mo
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No