(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2005). E61, o2104-o2105 [ doi:10.1107/S1600536805017964 ]

(Z)-1-(2,5-Dichlorophenyl)-2-(3-phenylthiazolidin-2-ylidene)ethanone

L.-Z. Xu, G.-P. Yu, P.-Y. Zhang and C.-L. Li

Online 17 June 2005

Key indicators

Single-crystal X-ray study
T = 294 K
Mean (C-C) = 0.005 Å
R factor = 0.040
wR factor = 0.091
Data-to-parameter ratio = 16.3

checkCIF/PLATON results

No syntax errors found




Alert level C
PLAT241_ALERT_2_C Check High      Ueq as Compared to Neighbors for         C2     
PLAT340_ALERT_3_C Low Bond Precision on C-C bonds (x 1000) Ang ...          5       
PLAT480_ALERT_4_C Long H...A H-Bond Reported H16    ..  CG1     ..       3.19 Ang.  
PLAT480_ALERT_4_C Long H...A H-Bond Reported H13    ..  CG2     ..       3.10 Ang.  
PLAT480_ALERT_4_C Long H...A H-Bond Reported H9     ..  CG3     ..       2.91 Ang.  

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           26.40
           From the CIF: _reflns_number_total               3235
           Count of symmetry unique reflns         1797
           Completeness (_total/calc)            180.02%
           TEST3: Check Friedels for noncentro structure
           Estimate of Friedel pairs measured      1438
           Fraction of Friedel pairs measured     0.800
           Are heavy atom types Z>Si present        yes

   0 ALERT level A = In general: serious problem
   0 ALERT level B = Potentially serious problem
   5 ALERT level C = Check and explain
   1 ALERT level G = General alerts; check

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