Information card for entry 8101339

Structure parameters

• Formula: C5 H15 Br K N O4
• Calculated formula: C5 H15.04 Br K N O4.04
• Title of publication: Crystal structure of betaine potassium bromide dihydrate, C~5~H~11~NO~2~ · KBr · 2H~2~O
• Authors of publication: Andrade, L. C. R.; Costa, M. M. R.; Pinto, Filipa; Paixão, J. A.; Almeida, A.; Chaves, M. R.; Klöpperpieper, A.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2000
• Journal volume: 215
• Journal issue: 4
• Pages of publication: 537 - 538
• a: 5.717 ± 0.0005 Å
• b: 25.181 ± 0.002 Å
• c: 7.4923 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1078.61 ± 0.16 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 57
• Hermann-Mauguin space group symbol: P b c m
• Hall space group symbol: -P 2c 2b
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No