Information card for entry 2313027

Structure parameters

• Chemical name: 1-{(<i>E</i>)-[(6-Methoxypyridin-2-yl)methylidene]amino}-3-phenylthiourea
• Formula: C14 H14 N4 O S
• Calculated formula: C14 H14 N4 O S
• Title of publication: Synthesis and structure of 1-{(<i>E</i>)-[(6-meth-oxy-pyridin-2-yl)methyl-idene]amino}-3-phenyl-thio-urea.
• Authors of publication: Muthirakalayil Abraham, Liji; Arunkumar, Amirthalingam; Velusamy, Marappan; Chinnathangavel, Thangaraja; Rajendiran, Venugopal
• Journal of publication: Acta crystallographica. Section E, Crystallographic communications
• Year of publication: 2026
• Journal volume: 82
• Journal issue: Pt 6
• Pages of publication: 674 - 677
• a: 17.811 ± 0.004 Å
• b: 5.24 ± 0.0014 Å
• c: 15.34 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1431.7 ± 0.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0797
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for significantly intense reflections: 0.0798
• Weighted residual factors for all reflections included in the refinement: 0.0964
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No