Information card for entry 2311160

Structure parameters

• Chemical name: 5-Chloro-<i>N</i>'-cyclohexylidene-3-methyl-1<i>H</i>-indole-2-carbohydrazide
• Formula: C16 H18 Cl N3 O
• Calculated formula: C16 H18 Cl N3 O
• SMILES: Clc1ccc2[nH]c(c(c2c1)C)C(=O)NN=C1CCCCC1
• Title of publication: 5-Chloro-N'-cyclo-hexyl-idene-3-methyl-1H-indole-2-carbohydrazide.
• Authors of publication: Akkurt, Mehmet; Zopun, Muhammet; Capan, Gültaze; Büyükgüngör, Orhan
• Journal of publication: Acta crystallographica. Section E, Structure reports online
• Year of publication: 2013
• Journal volume: 69
• Journal issue: Pt 7
• Pages of publication: o1137
• a: 5.2727 ± 0.0005 Å
• b: 9.7977 ± 0.0009 Å
• c: 15.238 ± 0.0015 Å
• α: 102.229 ± 0.007°
• β: 95.732 ± 0.008°
• γ: 92.332 ± 0.007°
• Cell volume: 763.94 ± 0.13 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1025
• Residual factor for significantly intense reflections: 0.0527
• Weighted residual factors for significantly intense reflections: 0.1105
• Weighted residual factors for all reflections included in the refinement: 0.1289
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No