Information card for entry 8100280

Structure parameters

• Formula: C6 H11 N2 Na O6
• Calculated formula: C6 H11 N2 Na O6
• SMILES: [Na+].O=C([O-])CC1NC(=O)CNC1=O.O.O
• Title of publication: Crystal structure of catena-diaqua-sodium (3,6-dioxopiperazine-2-yl)- acetate, Na(H~2~O)~2~(C~6~O~4~N~2~H~7~)
• Authors of publication: Mayer, Peter; Schapp, J.; Beck, Wolfgang
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2003
• Journal volume: 218
• Journal issue: 1
• Pages of publication: 113 - 114
• a: 13.9552 ± 0.0005 Å
• b: 10.7372 ± 0.0003 Å
• c: 6.2156 ± 0.0002 Å
• α: 90°
• β: 93.9807 ± 0.0012°
• γ: 90°
• Cell volume: 929.1 ± 0.05 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 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
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No