Information card for entry 8100069

Structure parameters

• Formula: C7 H12 N O4 P
• Calculated formula: C7 H12 N O4 P
• SMILES: P(=O)(O)(O)[O-].[NH3+]c1ccc(cc1)C
• Title of publication: Crystal structure of 4-methylanilinium dihydrogenphosphate, (p-CH~3~C~6~H~4~NH~3~)(H~2~PO~4~)
• Authors of publication: Smirani, Wajda; Ben Slimane, Amel; Rzaigui, Mohamed
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2004
• Journal volume: 219
• Journal issue: 2
• Pages of publication: 189 - 190
• a: 7.79 ± 0.003 Å
• b: 24.645 ± 0.004 Å
• c: 9.867 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1894 ± 1 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No