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Acta Cryst. (2011). E67, o46  [ doi:10.1107/S1600536810050373 ]

1-(4-Bromophenyl)-3-butanoylthiourea

S. Saeed, N. Rashid, J. P. Jasinski, R. J. Butcher and M. Shoaib

Online 8 December 2010


Key indicators

checkCIF/PLATON results

No syntax errors found




Alert level B PLAT242_ALERT_2_B Check Low Ueq as Compared to Neighbors for C9C PLAT242_ALERT_2_B Check Low Ueq as Compared to Neighbors for C9A PLAT910_ALERT_3_B Missing # of FCF Reflections Below Th(Min) ..... 45
Alert level C PLAT250_ALERT_2_C Large U3/U1 Ratio for Average U(i,j) Tensor .... 2.43 PLAT250_ALERT_2_C Large U3/U1 Ratio for Average U(i,j) Tensor .... 2.18 PLAT431_ALERT_2_C Short Inter HL..A Contact Br1A .. S1B .. 3.36 Ang. PLAT913_ALERT_3_C Missing # of Very Strong Reflections in FCF .... 1 PLAT912_ALERT_4_C Missing # of FCF Reflections Above STh/L= 0.600 986
Alert level G PLAT301_ALERT_3_G Note: Main Residue Disorder ................... 14.00 Perc. PLAT432_ALERT_2_G Short Inter X...Y Contact S1A .. C9A .. 3.23 Ang. PLAT860_ALERT_3_G Note: Number of Least-Squares Restraints ....... 18 PLAT720_ALERT_4_G Number of Unusual/Non-Standard Labels .......... 19 PLAT779_ALERT_4_G Suspect or Irrelevant (Bond) Angle in CIF .... # 1 C8C -O1A -C8A 1.555 1.555 1.555 5.00 Deg. PLAT811_ALERT_5_G No ADDSYM Analysis: Too Many Excluded Atoms .... !
0 ALERT level A = In general: serious problem 3 ALERT level B = Potentially serious problem 5 ALERT level C = Check and explain 6 ALERT level G = General alerts; check 0 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 6 ALERT type 2 Indicator that the structure model may be wrong or deficient 4 ALERT type 3 Indicator that the structure quality may be low 3 ALERT type 4 Improvement, methodology, query or suggestion 1 ALERT type 5 Informative message, check

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