Information card for entry 7100882

Structure parameters

• Formula: C18 H17 N3 O3
• Calculated formula: C18 H17 N3 O3
• SMILES: c1(ccc(cc1)Cn1nccc1)C(=O)N.c1(C(=O)O)ccccc1
• Title of publication: Balancing supramolecular reagents for reliable formation of co-crystals
• Authors of publication: C. Aakeroy; John Desper; Benjamin M. T. Scott
• Journal of publication: Chemical Communications
• Year of publication: 2006
• a: 9.0434 ± 0.0008 Å
• b: 10.5552 ± 0.0009 Å
• c: 17.4323 ± 0.0015 Å
• α: 101.807 ± 0.001°
• β: 102.126 ± 0.001°
• γ: 94.37 ± 0.001°
• Cell volume: 1580.1 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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