Information card for entry 2217164

Structure parameters

• Chemical name: Triethylammonium <i>N</i>'-(benzylsulfanylthiocarbonyl)-2-hydroxybenzohydrazidate
• Formula: C21 H29 N3 O2 S2
• Calculated formula: C21 H29 N3 O2 S2
• SMILES: S(C([S-])=NNC(=O)c1c(O)cccc1)Cc1ccccc1.[NH+](CC)(CC)CC
• Title of publication: Triethylammonium <i>N</i>'-(benzylsulfanylthiocarbonyl)-2-hydroxybenzohydrazidate
• Authors of publication: Singh, Mamata; Srivastava, Ajay K.; Singh, N.K.; Shrivastav, Anuraag; Sharma, R.K.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 1
• Pages of publication: o339 - o339
• a: 10.7109 ± 0.0004 Å
• b: 18.6807 ± 0.0006 Å
• c: 22.1814 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4438.2 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.105
• Residual factor for significantly intense reflections: 0.0563
• Weighted residual factors for all reflections included in the refinement: 0.118
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes