Information card for entry 2000962

Structure parameters

• Formula: C13 H12 N2 O S
• Calculated formula: C13 H12 N2 O S
• SMILES: O=C/C=C/C=C/N=c1\sn(c2c1cccc2)C
• Title of publication: Structure of 5-(1-methyl-2,1-benzisothiazol-3-ylideneamino)-2,4-pentadienal
• Authors of publication: Tari, L. W.; McKinnon, D. M.; Secco, A. S.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1992
• Journal volume: 48
• Journal issue: 4
• Pages of publication: 683 - 686
• a: 7.743 ± 0.002 Å
• b: 12.43 ± 0.005 Å
• c: 12.776 ± 0.005 Å
• α: 90°
• β: 90.52 ± 0.03°
• γ: 90°
• Cell volume: 1229.6 ± 0.8 ų
• Number of distinct elements: 5
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: Mo
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No