Information card for entry 2101417

Structure parameters

• Formula: C16 H10 Cl N O2
• Calculated formula: C16 H10 Cl N O2
• SMILES: ClC1=C(Nc2ccccc2)C(=O)c2c(C1=O)cccc2
• 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: 4.823 ± 0.001 Å
• b: 22.371 ± 0.003 Å
• c: 11.814 ± 0.003 Å
• α: 90°
• β: 97.04 ± 0.02°
• γ: 90°
• Cell volume: 1265.1 ± 0.5 ų
• Number of distinct elements: 5
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mo
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No