Information card for entry 1512649

Structure parameters

• Common name: (1E,1'Z)-2-((Z)-(hydroxyimino)methyl)thiophene-3-carbaldehyde oxime
• Chemical name: (1E,1'Z)-2-((Z)-(hydroxyimino)methyl)thiophene-3-carbaldehyde oxime
• Formula: C6 H6 N2 O2 S
• Calculated formula: C6 H6 N2 O2 S
• SMILES: s1c(c(/C=N/O)cc1)/C=N\O
• Title of publication: Complexes of thiophene-2,3-dicarboxaldehyde bis(oxime) (2,3BTCOH2) with nickel(II) and copper(II): Synthesis, characterization, crystal structure of 2,3BTCOH2. Rearrangement reaction with nickel(II) bromide
• Authors of publication: Kusai Alomar; Vincent Gaumet; Magali Allain; Pascal Richomme; Gilles Bouet
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2012
• Journal volume: 392
• Pages of publication: 433 - 439
• a: 24.1796 ± 0.0007 Å
• b: 4.2236 ± 0.0001 Å
• c: 15.7219 ± 0.0004 Å
• α: 90°
• β: 114.109 ± 0.002°
• γ: 90°
• Cell volume: 1465.54 ± 0.07 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0765
• Residual factor for significantly intense reflections: 0.0576
• Weighted residual factors for significantly intense reflections: 0.1808
• Weighted residual factors for all reflections included in the refinement: 0.213
• Goodness-of-fit parameter for all reflections included in the refinement: 1.097
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No