Information card for entry 4020775

Structure parameters

• Common name: dithiodiantranilide
• Formula: C14 H10 N2 S2
• Calculated formula: C14 H10 N2 S2
• SMILES: S=C1Nc2c(cccc2)C(=S)Nc2c1cccc2
• Title of publication: Planar Chiral Dianthranilide and Dithiodianthranilide Molecules: Optical Resolution, Chiroptical Spectra, and Molecular Self-Assembly
• Authors of publication: Teresa Olszewska; Maria Gdaniec; Tadeusz Połoński
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2004
• Journal volume: 69
• Pages of publication: 1248 - 1255
• a: 7.669 ± 0.002 Å
• b: 9.014 ± 0.002 Å
• c: 9.62 ± 0.002 Å
• α: 83.99 ± 0.02°
• β: 89.72 ± 0.02°
• γ: 68.74 ± 0.02°
• Cell volume: 616 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No