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Acta Cryst. (2005). E61, o2691-o2693  [ doi:10.1107/S1600536805023032 ]

4-[4-Dimethylamino-1-(4-fluorophenyl)-1-hydroxybutyl]-3-(hydroxymethyl)benzonitrile

J.-M. Gu, Y.-W. Wang and X.-R. Hu

Online 23 July 2005


Key indicators

checkCIF/PLATON results

No syntax errors found



Alert level A PLAT093_ALERT_1_A No su's on H-atoms, but refinement reported as . mixed
Alert level B PLAT242_ALERT_2_B Check Low Ueq as Compared to Neighbors for N2 PLAT242_ALERT_2_B Check Low Ueq as Compared to Neighbors for N4
Alert level C PLAT152_ALERT_1_C Supplied and Calc Volume s.u. Inconsistent ..... ? PLAT220_ALERT_2_C Large Non-Solvent C Ueq(max)/Ueq(min) ... 2.71 Ratio PLAT220_ALERT_2_C Large Non-Solvent C Ueq(max)/Ueq(min) ... 3.22 Ratio PLAT222_ALERT_3_C Large Non-Solvent H Ueq(max)/Ueq(min) ... 3.18 Ratio PLAT230_ALERT_2_C Hirshfeld Test Diff for O4 - C24 .. 5.19 su PLAT230_ALERT_2_C Hirshfeld Test Diff for C32 - C33 .. 5.74 su PLAT355_ALERT_3_C Long O-H Bond (0.82A) O3 - H46 ... 1.03 Ang. PLAT371_ALERT_2_C Long C(sp2)-C(sp1) Bond C6 - C7 ... 1.43 Ang. PLAT371_ALERT_2_C Long C(sp2)-C(sp1) Bond C26 - C27 ... 1.44 Ang.
1 ALERT level A = In general: serious problem 2 ALERT level B = Potentially serious problem 9 ALERT level C = Check and explain 0 ALERT level G = General alerts; check 2 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 8 ALERT type 2 Indicator that the structure model may be wrong or deficient 2 ALERT type 3 Indicator that the structure quality may be low 0 ALERT type 4 Improvement, methodology, query or suggestion

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