Information card for entry 2022773

Structure parameters

• Common name: Bis(2-phthalimidoethyl)ammonium chloride dihydrate
• Chemical name: Bis[2-(1,3-dioxoisoindol-2-yl)ethyl]azanium chloride dihydrate
• Formula: C20 H22 Cl N3 O6
• Calculated formula: C20 H22 Cl N3 O6
• Title of publication: Synthesis and crystal structure of bis-(2-phthal-imido-eth-yl)ammonium chloride dihydrate.
• Authors of publication: Young, Barry S.; Lee, Jamie L.; Gembicky, Milan; Bailey, Jake; Smith, Gary L. N.
• Journal of publication: Acta crystallographica. Section E, Crystallographic communications
• Year of publication: 2023
• Journal volume: 79
• Journal issue: Pt 6
• Pages of publication: 575 - 577
• a: 12.0401 ± 0.0006 Å
• b: 15.4829 ± 0.0007 Å
• c: 11.2543 ± 0.0006 Å
• α: 90°
• β: 105.719 ± 0.0017°
• γ: 90°
• Cell volume: 2019.52 ± 0.17 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0421
• Residual factor for significantly intense reflections: 0.031
• Weighted residual factors for significantly intense reflections: 0.0717
• Weighted residual factors for all reflections included in the refinement: 0.0767
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes