Information card for entry 7100197

Structure parameters

• Formula: C11 H10 N4 O
• Calculated formula: C11 H10 N4 O
• SMILES: c1c(cccn1)NC(=O)Nc1cnccc1
• Title of publication: First Snapshot of A Nonpolymeric Hydrogelator Interacting with its Gelling solvents
• Authors of publication: Parthasarathi Dastidar; Amitava Das; D.Amilan Jose; D.Krishna Kumar
• Journal of publication: Chemical Communications
• Year of publication: 2005
• a: 13.713 ± 0.006 Å
• b: 6.977 ± 0.003 Å
• c: 10.013 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 957.9 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 41
• Hermann-Mauguin space group symbol: A b a 2
• Hall space group symbol: A 2 -2ab
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No