Information card for entry 2222343

Structure parameters

• Chemical name: (<i>Z</i>)-{[3-(Hydroxymethyl)-1,3-thiazolidin-2-ylidene]amino}formonitrile
• Formula: C5 H7 N3 O S
• Calculated formula: C5 H7 N3 O S
• SMILES: S1CCN(CO)/C1=N/C#N
• Title of publication: (<i>Z</i>)-{[3-(Hydroxymethyl)-1,3-thiazolidin-2-ylidene]amino}formonitrile
• Authors of publication: Liu, Xin-Lin; Li, Yu-Ming
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 7
• Pages of publication: o1645
• a: 5.5321 ± 0.0011 Å
• b: 8.179 ± 0.0016 Å
• c: 8.4978 ± 0.0017 Å
• α: 101.56 ± 0.03°
• β: 100.39 ± 0.03°
• γ: 105.47 ± 0.03°
• Cell volume: 351.75 ± 0.16 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0416
• Residual factor for significantly intense reflections: 0.0322
• Weighted residual factors for significantly intense reflections: 0.0911
• Weighted residual factors for all reflections included in the refinement: 0.1193
• Goodness-of-fit parameter for all reflections included in the refinement: 1.189
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes