Information card for entry 8100551

Structure parameters

• Formula: C15 H19 N3 O4
• Calculated formula: C15 H19 N3 O4
• SMILES: O(C1=NN(C(=O)N1c1ccccc1)C(=O)OC(C)C)C(C)C
• Title of publication: Crystal structure of isopropyl 3-isopropyloxy-5-oxophenyl-delta^2 ^-1,2,4-triazoline-1-carboxylate, C~15~H~19~N~3~O~4~
• Authors of publication: Saylik, D.; Horvath, M. J.; Elmes, P. S.; Jackson, W. R.; Lovel, C. G.; Moody, K.; Tiekink, E. R. T.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2002
• Journal volume: 217
• Journal issue: 1
• Pages of publication: 91 - 93
• a: 16.54 ± 0.01 Å
• b: 9.392 ± 0.008 Å
• c: 21.39 ± 0.01 Å
• α: 90°
• β: 107.92 ± 0.06°
• γ: 90°
• Cell volume: 3160 ± 4 ų
• Cell temperature: 203 K
• Ambient diffraction temperature: 203 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No