Information card for entry 8100127

Structure parameters

• Formula: C8 H14 N O4 P
• Calculated formula: C8 H14 N O4 P
• SMILES: P(=O)(O)(O)[O-].[NH3+]c1cc(c(cc1)C)C
• Title of publication: Crystal structure of 3,4-dimethylanilinium dihydrogenphosphate, [(CH~3~)~2~C~6~H~3~NH~3~]H~2~PO~4~
• Authors of publication: Smirani, Wajda; Rzaigui, Mohamed
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2004
• Journal volume: 219
• Journal issue: 3
• Pages of publication: 263 - 264
• a: 7.909 ± 0.01 Å
• b: 8.366 ± 0.003 Å
• c: 16.552 ± 0.003 Å
• α: 90°
• β: 98.23 ± 0.06°
• γ: 90°
• Cell volume: 1083.9 ± 1.1 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No