Information card for entry 2101414

Structure parameters

• Formula: C11 H13 N O3
• Calculated formula: C11 H13 N O3
• SMILES: COc1ccc(cc1)NC(=O)CC(=O)C
• Title of publication: Intermolecular N‒H^{···^}O hydrogen bonds assisted by resonance. Heteroconjugated systems as hydrogen-bond-strengthening functional groups
• Authors of publication: Bertolasi, V.; Gilli, P.; Ferretti, V.; Gilli, G.
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 1995
• Journal volume: 51
• Journal issue: 6
• Pages of publication: 1004 - 1015
• a: 9.469 ± 0.002 Å
• b: 8.53 ± 0.003 Å
• c: 27.149 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2192.8 ± 0.9 ų
• Number of distinct elements: 4
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mo
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No