Information card for entry 2234511

Structure parameters

• Chemical name: (1<i>Z</i>,2<i>E</i>)-<i>N</i>'-{1-[2-(4-Bromophenyl)hydrazin-1-ylidene]-1-chloropropan-2-ylidene}thiophene-2-carbohydrazide
• Formula: C14 H12 Br Cl N4 O S
• Calculated formula: C14.008 H12 Br Cl N4 O S
• SMILES: Brc1ccc(cc1)N/N=C(/C(=N/NC(=O)c1cccs1)C)Cl
• Title of publication: (1<i>Z</i>,2<i>E</i>)-<i>N</i>'-{1-[2-(4-Bromophenyl)hydrazin-1-ylidene]-1-chloropropan-2-ylidene}thiophene-2-carbohydrazide
• Authors of publication: Fun, Hoong-Kun; Chantrapromma, Suchada; Abdel-Aziz, Hatem A.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 5
• Pages of publication: o1510 - o1511
• a: 13.5502 ± 0.0014 Å
• b: 3.8932 ± 0.0004 Å
• c: 29.816 ± 0.003 Å
• α: 90°
• β: 103.075 ± 0.002°
• γ: 90°
• Cell volume: 1532.1 ± 0.3 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 7
• 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: 0.0502
• Residual factor for significantly intense reflections: 0.031
• Weighted residual factors for significantly intense reflections: 0.0669
• Weighted residual factors for all reflections included in the refinement: 0.0745
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes