(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2012). E68, o3400-o3401
[ doi:10.1107/S1600536812046934 ]

Methyl 2-(3-chlorobenzamido)benzoate

A. Ouahrouch, M. Taourirte, H. B. Lazrek, M. El Azhari, M. Saadi and L. El Ammari

Key indicators

Single-crystal X-ray study
T = 296 K
Mean (C-C) = 0.003 Å
R factor = 0.047
wR factor = 0.144
Data-to-parameter ratio = 19.4

checkCIF/PLATON results

No syntax errors found




Alert level C
PLAT414_ALERT_2_C Short Intra D-H..H-X       H2     ..  H5      ..       1.96 Ang. 
PLAT480_ALERT_4_C Long H...A H-Bond Reported H1     ..  O1      ..       2.67 Ang. 
PLAT480_ALERT_4_C Long H...A H-Bond Reported H9     ..  CL1     ..       2.87 Ang. 
PLAT910_ALERT_3_C Missing # of FCF Reflections Below Th(Min) .....          3      

Alert level G
PLAT005_ALERT_5_G No _iucr_refine_instructions_details  in the CIF          ?
PLAT007_ALERT_5_G Note: Number of Unrefined D-H Atoms ............          1      

   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
   2 ALERT level G = General information/check it is not something unexpected

   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
   2 ALERT type 4 Improvement, methodology, query or suggestion
   2 ALERT type 5 Informative message, check


checkCIF publication errors

Alert level A
PUBL024_ALERT_1_A The number of authors is greater than 5.
              Please specify the role of each of the co-authors
              for your paper.

Author Response: A. Ouahrouch synhetized the compound. El Azhari crystal growth of the compound H. B. Lazrek and M. Taourirte are director and co-director of thesis. L. El Ammari and M. Saadi : X-ray data collection, crystal structure refinement and cif preparation.


   1 ALERT level A = Data missing that is essential or data in wrong format
   0 ALERT level G = General alerts. Data that may be required is missing