Information card for entry 2000445

Structure parameters

• Formula: C10 H13 N3 O3
• Calculated formula: C10 H13 N3 O3
• Title of publication: Structures of the isomeric triazene 1-oxides 3-(4-ethoxycarbonylphenyl)-1-methyltriazene 1-oxide (1) and 3-(2-ethoxycarbonylphenyl)-1-methyltriazene 1-oxide (2)
• Authors of publication: Vaughan, K.; Cameron, L. M.; Christie, S.; Zaworotko, M. J.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1992
• Journal volume: 48
• Journal issue: 11
• Pages of publication: 1985 - 1988
• a: 12.963 ± 0.009 Å
• b: 8.1716 ± 0.0008 Å
• c: 11.212 ± 0.007 Å
• α: 90°
• β: 110.85 ± 0.03°
• γ: 90°
• Cell volume: 1109.9 ± 1.1 ų
• 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
• Diffraction radiation wavelength: 0.70926 Å
• Diffraction radiation type: Mo
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No