(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2011). E67, o914-o915 [ doi:10.1107/S1600536811009603 ]

N-[2-(4-Bromophenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]pyridine-3-carboxamide

M. Akkurt, Í. Çelik, H. Demir, S. Özkirimli and O. Büyükgüngör

Online 19 March 2011

Key indicators

Single-crystal X-ray study
T = 296 K
Mean (C-C) = 0.006 Å
Disorder in main residue
R factor = 0.058
wR factor = 0.119
Data-to-parameter ratio = 14.1

checkCIF/PLATON results

No syntax errors found




Alert level C
PLAT152_ALERT_1_C The Supplied and Calc. Volume s.u. Differ by ...          5 Units
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for         C3     
PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L=  0.600          8      
PLAT912_ALERT_4_C Missing # of FCF Reflections Above STh/L=  0.600         11      

Alert level G
PLAT242_ALERT_2_G Check Low       Ueq as Compared to Neighbors for        C8A     
PLAT242_ALERT_2_G Check Low       Ueq as Compared to Neighbors for        C8B     
PLAT301_ALERT_3_G Note: Main Residue  Disorder ...................         22 Perc.
PLAT720_ALERT_4_G Number of Unusual/Non-Standard Labels ..........          1      
PLAT793_ALERT_4_G The Model has Chirality at C8A     (Verify) ....          R      
PLAT793_ALERT_4_G The Model has Chirality at C8B     (Verify) ....          S      
PLAT811_ALERT_5_G No ADDSYM Analysis: Too Many Excluded Atoms ....          !
PLAT860_ALERT_3_G Note: Number of Least-Squares Restraints .......         13      

   0 ALERT level A = Most likely a serious problem - resolve or explain
   0 ALERT level B = A potentially serious problem, consider carefully
   4 ALERT level C = Check. Ensure it is not caused by an omission or oversight
   8 ALERT level G = General information/check it is not something unexpected

   1 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
   3 ALERT type 2 Indicator that the structure model may be wrong or deficient
   3 ALERT type 3 Indicator that the structure quality may be low
   4 ALERT type 4 Improvement, methodology, query or suggestion
   1 ALERT type 5 Informative message, check