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Acta Cryst. (2009). E65, o2166-o2167  [ doi:10.1107/S1600536809031675 ]

N,N-Bis(2,6-difluorobenzyl)-1,3,4-thiadiazol-2-amine

H.-K. Fun, W.-C. Liew, B. Chandrakantha and A. M. Isloor

Online 15 August 2009


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Alert level G REFLT03_ALERT_4_G Please check that the estimate of the number of Friedel pairs is correct. If it is not, please give the correct count in the _publ_section_exptl_refinement section of the submitted CIF. From the CIF: _diffrn_reflns_theta_max 32.50 From the CIF: _reflns_number_total 4796 Count of symmetry unique reflns 2876 Completeness (_total/calc) 166.76% TEST3: Check Friedels for noncentro structure Estimate of Friedel pairs measured 1920 Fraction of Friedel pairs measured 0.668 Are heavy atom types Z>Si present yes PLAT033_ALERT_4_G Flack x Parameter Value Deviates from Zero ..... 0.20 PLAT063_ALERT_4_G Crystal Size Likely too Large for Beam Size .... 0.46 mm
0 ALERT level A = In general: serious problem 0 ALERT level B = Potentially serious problem 0 ALERT level C = Check and explain 3 ALERT level G = General alerts; check 0 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 0 ALERT type 2 Indicator that the structure model may be wrong or deficient 0 ALERT type 3 Indicator that the structure quality may be low 3 ALERT type 4 Improvement, methodology, query or suggestion 0 ALERT type 5 Informative message, check

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