Information card for entry 4021301

Structure parameters

• Formula: C15 H10 Cl N O
• Calculated formula: C15 H10 Cl N O
• SMILES: Clc1c(c(=O)[nH]c2c1cccc2)c1ccccc1
• Title of publication: Biradicals/Zwitterions from Thermolysis of Enyne-Isocyanates. Application to the Synthesis of 2(1H)-Pyridones, Benzofuro[3,2-c]pyridin-1(2H)-ones, 2,5-Dihydro-1H-pyrido[4,3-b]indol-1-ones, and Related Compounds.
• Authors of publication: Hongbin Li; Hua Yang; Jeffrey L. Petersen; Kung K. Wang
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2004
• Journal volume: 69
• Pages of publication: 4500 - 4508
• a: 11.1366 ± 0.0012 Å
• b: 6.9872 ± 0.0007 Å
• c: 15.3869 ± 0.0016 Å
• α: 90°
• β: 93.796 ± 0.002°
• γ: 90°
• Cell volume: 1194.7 ± 0.2 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No