Information card for entry 8107720

Structure parameters

• Common name: (6E)-2-[(ortho-hydroxy)benzylidene]-1-[4,5-dihydro- 5-(ortho-hydroxy-phenyl)-1,3,4-thiadiazo-2-yl-4-isoproylidenonium]- hydrazine chloride
• Formula: C18 H19 Cl N4 O2 S
• Calculated formula: C18 H19 Cl N4 O2 S
• Title of publication: Crystal structure of (6E)-2-[(ortho-hydroxy)benzylidene]-1-[4,5-dihydro- 5-(ortho-hydroxy-phenyl)-1,3,4-thiadiazo-2-yl-4-isoproylidenonium]- hydrazine chloride, C18H19ClN4O2S
• Authors of publication: Schmitt, Bonell; Gerber, Thomas I. A.; Hosten, Eric C.; Betz, Richard
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2015
• Journal volume: 230
• Journal issue: 2
• Pages of publication: 69 - 70
• a: 15.771 ± 0.004 Å
• b: 11.101 ± 0.003 Å
• c: 22.072 ± 0.006 Å
• α: 90°
• β: 101.986 ± 0.009°
• γ: 90°
• Cell volume: 3780 ± 1.7 ų
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for significantly intense reflections: 0.0551
• Weighted residual factors for significantly intense reflections: 0.1538
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No