Information card for entry 8100131

Structure parameters

• Formula: C24 H25 F2 N O2
• Calculated formula: C24 H25 F2 N O2
• SMILES: Fc1c(c2ccc(CCC(C(=O)[O-])C)cc2)ccc(F)c1.[NH3+]Cc1ccccc1
• Title of publication: Crystal structure of benzylammonium 4-(2',4'-difluorobiphenyl-4-yl)- 2-methylbutyrate, (F~2~C~16~H~15~COO)(C~7~H~7~NH~3~), a salt of deoxoflobufen
• Authors of publication: Bulej, Petr; Kuchař, Miroslav; Hušák, Michal; Kratochvíl, Bohumil; Císařova, Ivana; Jegorov, Alexandr
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2004
• Journal volume: 219
• Journal issue: 3
• Pages of publication: 299 - 300
• a: 6.164 ± 0.0003 Å
• b: 10.64 ± 0.0005 Å
• c: 16.223 ± 0.0006 Å
• α: 84.439 ± 0.002°
• β: 83.312 ± 0.002°
• γ: 84.643 ± 0.0019°
• Cell volume: 1048.14 ± 0.08 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No