Information card for entry 7239841

Structure parameters

• Formula: C18 H20 N6 O3 S
• Calculated formula: C18 H20 N6 O3 S
• Title of publication: Microwave assisted slurry conversion crystallization for manufacturing of new co-crystals of sulfamethazine and sulfamerazine
• Authors of publication: Ahuja, Dipali; Ramisetty, Kiran A.; Sumanth, Peraka Krishna; Crowley, Clare M.; Lusi, Matteo; Rasmuson, Åke C.
• Journal of publication: CrystEngComm
• Year of publication: 2020
• Journal volume: 22
• Journal issue: 8
• Pages of publication: 1381 - 1394
• a: 12.3517 ± 0.0016 Å
• b: 8.3507 ± 0.0011 Å
• c: 18.174 ± 0.002 Å
• α: 90°
• β: 98.788 ± 0.004°
• γ: 90°
• Cell volume: 1852.6 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.1406
• Residual factor for significantly intense reflections: 0.075
• Weighted residual factors for significantly intense reflections: 0.1519
• Weighted residual factors for all reflections included in the refinement: 0.1753
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No