Information card for entry 1543888

Structure parameters

• Chemical name: <i>N</i>-{(<i>Z</i>)-3-Oxo-3-[(<i>E</i>)-(pyridin-2-ylmethyl)diazenyl]-1-(thiophen-2-yl)prop-1-en-2-yl}benzamide
• Formula: C20 H16 N4 O2 S
• Calculated formula: C20 H16 N4 O2 S
• SMILES: s1c(/C=C(\NC(=O)c2ccccc2)C(=O)/N=N/Cc2ncccc2)ccc1
• Title of publication: <i>N</i>-{(<i>Z</i>)-3-Oxo-3-[(<i>E</i>)-(pyridin-2-ylmethyl)diazenyl]-1-(thiophen-2-yl)prop-1-en-2-yl}benzamide
• Authors of publication: Sharma, Devinder K.; Subbulakshmi, K. N.; Narayana, B.; Sarojini, B. K.; Anthal, Sumati; Kant, Rajni
• Journal of publication: IUCrData
• Year of publication: 2016
• Journal volume: 1
• Journal issue: 8
• Pages of publication: x161276
• a: 9.3289 ± 0.001 Å
• b: 9.9031 ± 0.001 Å
• c: 9.8984 ± 0.0012 Å
• α: 90°
• β: 97.221 ± 0.011°
• γ: 90°
• Cell volume: 907.21 ± 0.17 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0773
• Residual factor for significantly intense reflections: 0.0544
• Weighted residual factors for significantly intense reflections: 0.117
• Weighted residual factors for all reflections included in the refinement: 0.1366
• Goodness-of-fit parameter for all reflections included in the refinement: 0.984
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes