(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2013). E69, o388
[ doi:10.1107/S1600536813004029 ]

3-(4-Methoxyphenyl)-5-methylisoxazole-4-carboxylic acid

Chandra, K. Raghu, N. Srikantamurthy, K. B. Umesha, K. Palani and M. Mahendra

Key indicators

Single-crystal X-ray study
T = 296 K
Mean (C-C) = 0.002 Å
R factor = 0.045
wR factor = 0.125
Data-to-parameter ratio = 18.0

checkCIF/PLATON results

No syntax errors found



Datablock: I



Alert level C
PLAT230_ALERT_2_C Hirshfeld Test Diff for    O11    --  N10     ..        5.5 su   
PLAT905_ALERT_3_C Negative K value in the Analysis of Variance ...     -1.083      

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      
PLAT912_ALERT_4_G Missing # of FCF Reflections Above STh/L=  0.600         24      

   0 ALERT level A = Most likely a serious problem - resolve or explain
   0 ALERT level B = A potentially serious problem, consider carefully
   2 ALERT level C = Check. Ensure it is not caused by an omission or oversight
   3 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
   1 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: The role of authors have been given below.

 Chandra -- Solved and analyzed the structre
 Raghu K --  Synthesis
 Srikantamurthy N -- Data collection and processing
 Umesha K B -- Crystallization in various conditions
 Palani K -- Biological and Pharmacological studies for the current derivative
 Mahendra M -- Guide, Principal investigator and corresponding author



   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