Information card for entry 7217636

Structure parameters

• Chemical name: 2-(4-methoxybenzyl)-2H-indazole
• Formula: C15 H14 N2 O
• Calculated formula: C15 H14 N2 O
• SMILES: n1(nc2c(c1)cccc2)Cc1ccc(OC)cc1
• Title of publication: A facile synthesis of 2H-indazoles under neat conditions and further transformation into aza-γ-carboline alkaloid analogues in a tandem one-pot fashion
• Authors of publication: Vidyacharan, Shinde; Sagar, A.; Chaitra, N. C.; Sharada, Duddu S.
• Journal of publication: RSC Advances
• Year of publication: 2014
• Journal volume: 4
• Journal issue: 65
• Pages of publication: 34232
• a: 9.415 ± 0.0016 Å
• b: 5.6395 ± 0.0009 Å
• c: 12.3566 ± 0.0018 Å
• α: 90°
• β: 110.273 ± 0.018°
• γ: 90°
• Cell volume: 615.44 ± 0.18 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0463
• Residual factor for significantly intense reflections: 0.0386
• Weighted residual factors for significantly intense reflections: 0.0975
• Weighted residual factors for all reflections included in the refinement: 0.1079
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No