Information card for entry 2104569

Structure parameters

• Chemical name: N-Ethoxycarbonyl-N'-m-tolylthiourea
• Formula: C11 H14 N2 O2 S
• Calculated formula: C11 H11 N2 O2 S
• SMILES: S=C(Nc1cccc(c1)C)NC(=O)OCC
• Title of publication: Space groups <i>P</i>1 and <i>Cc</i>: how are they doing?
• Authors of publication: Marsh, Richard E.
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 6
• Pages of publication: 782 - 783
• a: 5.838 ± 0.001 Å
• b: 9.441 ± 0.002 Å
• c: 11.595 ± 0.002 Å
• α: 77.15 ± 0.03°
• β: 87.89 ± 0.03°
• γ: 86.22 ± 0.03°
• Cell volume: 621.6 ± 0.2 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
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No