Information card for entry 8100934

Structure parameters

• Formula: C14 H16 N2 O3
• Calculated formula: C14 H16 N2 O3
• SMILES: O(C1=C(Nc2ccc(N(C)C)cc2)C(=O)C1=O)CC
• Title of publication: Crystal structure of 4-[(4-N,N-dimethylaminophenylene)- amino]-3-ethoxy- 3-cyclobutene-1,2-dione, C~14~H~16~N~2~O~3~
• Authors of publication: Kolev, Tsonko; Yancheva, Denitsa; Schürmann, Markus; Kleb, Dirk-Chr.; Preut, Hans; Bleckmann, Paul
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2001
• Journal volume: 216
• Journal issue: 2
• Pages of publication: 241 - 242
• a: 6.3066 ± 0.0001 Å
• b: 7.5559 ± 0.0002 Å
• c: 14.7551 ± 0.0004 Å
• α: 88.5449 ± 0.0009°
• β: 82.5333 ± 0.0009°
• γ: 69.2045 ± 0.0013°
• Cell volume: 651.57 ± 0.03 ų
• Cell temperature: 291 ± 1 K
• Ambient diffraction temperature: 291 ± 1 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No