Information card for entry 7203295

Structure parameters

• Common name: (E,E)-1,2-bis-4-chlorobenzaldazine
• Chemical name: (E,E)-1,2-bis-4-chlorobenzaldazine
• Formula: C14 H10 Cl2 N2
• Calculated formula: C14 H10 Cl2 N2
• SMILES: c1(ccc(/C=N/N=C/c2ccc(cc2)Cl)cc1)Cl
• Title of publication: Multifurcated halogen bonding involving Ph?Cl?H?CPh?N?R? interactions and its relation to idioteloamphiphile layer architecture
• Authors of publication: Glaser, Rainer; Murphy, Richard F.; Sui, Yongqiang; Barnes, Charles L.; Kim, Sung Hoon
• Journal of publication: CrystEngComm
• Year of publication: 2006
• Journal volume: 8
• Journal issue: 5
• Pages of publication: 372
• a: 3.8917 ± 0.0005 Å
• b: 6.9999 ± 0.0008 Å
• c: 22.977 ± 0.003 Å
• α: 90°
• β: 90.798 ± 0.002°
• γ: 90°
• Cell volume: 625.87 ± 0.14 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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
• Residual factor for all reflections: 0.0348
• Residual factor for significantly intense reflections: 0.0328
• Weighted residual factors for significantly intense reflections: 0.0851
• Weighted residual factors for all reflections included in the refinement: 0.0867
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No