Information card for entry 7208605

Structure parameters

• Formula: C14 H14 N2 O S
• Calculated formula: C14 H14 N2 O S
• Title of publication: A model for a solvent-free synthetic organic research laboratory: click-mechanosynthesis and structural characterization of thioureas without bulk solvents
• Authors of publication: Štrukil, Vjekoslav; Igrc, Marina D.; Fábián, László; Eckert-Maksić, Mirjana; Childs, Scott L.; Reid, David G.; Duer, Melinda J.; Halasz, Ivan; Mottillo, Cristina; Friščić, Tomislav
• Journal of publication: Green Chemistry
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 9
• Pages of publication: 2462
• a: 28.4936 ± 0.0024 Å
• b: 5.55569 ± 0.00033 Å
• c: 8.14303 ± 0.00038 Å
• α: 90°
• β: 90.7479 ± 0.0043°
• γ: 90°
• Cell volume: 1288.94 ± 0.15 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 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
• RFsqd: 0.0202
• Goodness-of-fit parameter for all reflections: 0.975
• Method of determination: powder diffraction
• Diffraction radiation wavelength: 1.54059 Å
• Diffraction radiation type: CuKα_1
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No