Information card for entry 2000681

Structure parameters

• Formula: C10 H9 Cl N2 O S
• Calculated formula: C10 H9 Cl N2 O S
• SMILES: CO/N=C1/C(=Nc2c1cc(Cl)cc2)SC
• Title of publication: Structure of 5-chloro-2-methylthio-3<i>H</i>-indol-3-one 3-oxime <i>O</i>-methyl ether
• Authors of publication: Beddoes, R. L.; Kearney, T.; Jackson, A.; Joule, J. A.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1992
• Journal volume: 48
• Journal issue: 8
• Pages of publication: 1444 - 1446
• a: 23.671 ± 0.006 Å
• b: 5.48 ± 0.001 Å
• c: 20.644 ± 0.008 Å
• α: 90°
• β: 123.82 ± 0.02°
• γ: 90°
• Cell volume: 2224.8 ± 1.2 ų
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: Cu
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No