Information card for entry 7009113

Structure parameters

• Common name: H2pydoxmetsc x HCl
• Chemical name: Pyridoxalmethylthiosemicarbazone hydrochloride
• Formula: C10 H15 Cl N4 O2 S
• Calculated formula: C10 H15 Cl N4 O2 S
• SMILES: S=C(N/N=C/c1c(c([nH+]cc1CO)C)O)NC.[Cl-]
• Title of publication: Gold complexes with thiosemicarbazones: reactions of bi- and tridentate thiosemicarbazones with dichloro[2-(dimethylaminomethyl)phenyl-C 1,N ]gold(III), [Au(damp-C 1,N )Cl2]
• Authors of publication: Abram, Ulrich; Ortner, Kirstin; Gust, Ronald; Sommer, Klaus
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2000
• Journal issue: 5
• Pages of publication: 735
• a: 7.7002 ± 0.0007 Å
• b: 8.05 ± 0.0009 Å
• c: 12.461 ± 0.001 Å
• α: 74.076 ± 0.009°
• β: 75.846 ± 0.008°
• γ: 64.49 ± 0.008°
• Cell volume: 663.22 ± 0.12 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0661
• Residual factor for significantly intense reflections: 0.0539
• Weighted residual factors for significantly intense reflections: 0.1927
• Weighted residual factors for all reflections included in the refinement: 0.2058
• Goodness-of-fit parameter for all reflections included in the refinement: 1.24
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No