Information card for entry 7240817

Structure parameters

• Common name: N-(2-Hydroxy-5-chlorobenzylidene)-4-chloroaniline
• Chemical name: N-(5?-chlorosalicylidene)-4-chloroaniline
• Formula: C13 H9 Cl2 N O
• Calculated formula: C13 H9 Cl2 N O
• SMILES: Oc1ccc(cc1/C=N/c1ccc(cc1)Cl)Cl
• Title of publication: Seed-triggered solid-to-solid transformation between color polymorphs: Striking differences between quasi-isomorphous crystals of dichloro-substituted salicylideneaniline regioisomers
• Authors of publication: Zhang, Zaixiang; SUZUKI, Masahiro; YANG, Yu; Yoshikawa, Isao; Yin, Qiuxiang; Houjou, Hirohiko
• Journal of publication: CrystEngComm
• Year of publication: 2020
• a: 20.427 ± 0.006 Å
• b: 4.5728 ± 0.0013 Å
• c: 12.101 ± 0.004 Å
• α: 90°
• β: 92.301 ± 0.005°
• γ: 90°
• Cell volume: 1129.4 ± 0.6 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 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: 0.0395
• Residual factor for significantly intense reflections: 0.0333
• Weighted residual factors for significantly intense reflections: 0.0774
• Weighted residual factors for all reflections included in the refinement: 0.083
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No