Information card for entry 2015191

Structure parameters

• Chemical name: 2,3-dichlorobenzaldehyde isonicotinoylhydrazone
• Formula: C13 H9 Cl2 N3 O
• Calculated formula: C13 H9 Cl2 N3 O
• SMILES: Clc1c(cccc1Cl)/C=N/NC(=O)c1ccncc1
• Title of publication: π-Stacked hydrogen-bonded chains of rings in 2,4-difluorobenzaldehyde isonicotinoylhydrazone and hydrogen-bonded sheets in 2,3-dichlorobenzaldehyde isonicotinoylhydrazone
• Authors of publication: Wardell, Solange M. S. V.; de Souza, Marcus V. N.; Ferreira, MArcelle de L.; Vasconcelos, Thatyana R. A.; Low, John N.; Glidewell, Christopher
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 10
• Pages of publication: o617 - o620
• a: 7.7369 ± 0.0002 Å
• b: 10.7764 ± 0.0004 Å
• c: 14.9091 ± 0.0005 Å
• α: 90°
• β: 90.24 ± 0.0018°
• γ: 90°
• Cell volume: 1243.05 ± 0.07 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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
• Residual factor for all reflections: 0.0403
• Residual factor for significantly intense reflections: 0.0313
• Weighted residual factors for significantly intense reflections: 0.0853
• Weighted residual factors for all reflections included in the refinement: 0.0993
• Goodness-of-fit parameter for all reflections included in the refinement: 1.154
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes