Information card for entry 8100722

Structure parameters

• Formula: C11 H17 N O2
• Calculated formula: C11 H17 N O2
• SMILES: O(C(=O)c1[nH]c(c(c1C)CC)C)CC
• Title of publication: Crystal structure of 4-ethyl-3,5-dimethyl-1H-pyrolle-2-carboxylic acid ethyl ester, C~11~H~17~NO~2~
• Authors of publication: Paixão, J. A.; Matos Beja, A.; Ramos Silva, M.; Alte da Veiga, L.; Sobral, A. J. F. N.; Lopes, S. H.; Rocha Gonsalves, A. M. d'A.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2002
• Journal volume: 217
• Journal issue: 3
• Pages of publication: 430 - 432
• a: 11.8338 ± 0.0005 Å
• b: 8.2733 ± 0.0005 Å
• c: 23.7004 ± 0.0016 Å
• α: 90°
• β: 92.568 ± 0.005°
• γ: 90°
• Cell volume: 2318 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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