Information card for entry 4020638

Structure parameters

• Formula: C21 H23 N3 O
• Calculated formula: C21 H23 N3 O
• SMILES: c1c(n2nc(c3ccc(OC)cc3)cc2N2CCCCC2)cccc1
• Title of publication: Highly Regioselective Synthesis of 1-Aryl-3 (or 5)-alkyl/aryl-5 (or 3)-(N-cycloamino)pyrazoles
• Authors of publication: Peruncheralathan, S.; Yadav, A. K.; Ila, H.; Junjappa, H.
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2005
• Journal volume: 70
• Journal issue: 23
• Pages of publication: 9644 - 9647
• a: 8.6015 ± 0.0007 Å
• b: 19.6864 ± 0.0017 Å
• c: 10.4409 ± 0.0009 Å
• α: 90°
• β: 98.94 ± 0.002°
• γ: 90°
• Cell volume: 1746.5 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• 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