(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2012). E68, o3091
[ doi:10.1107/S1600536812041311 ]

(Z)-4-Benzylidene-3-methylisoxazol-5(4H)-one

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

Key indicators

Single-crystal X-ray study
T = 293 K
Mean (C-C) = 0.003 Å
R factor = 0.042
wR factor = 0.111
Data-to-parameter ratio = 12.6

checkCIF/PLATON results

No syntax errors found




Alert level C
PLAT480_ALERT_4_C Long H...A H-Bond Reported H7C    ..  O6      ..       2.61 Ang. 
PLAT480_ALERT_4_C Long H...A H-Bond Reported H8     ..  O1      ..       2.72 Ang. 
PLAT480_ALERT_4_C Long H...A H-Bond Reported H14    ..  O1      ..       2.68 Ang. 
PLAT906_ALERT_3_C Large K value in the Analysis of Variance ......      2.242      

Alert level G
PLAT005_ALERT_5_G No _iucr_refine_instructions_details in CIF ....          ?
PLAT128_ALERT_4_G Alternate Setting of Space-group P21/c   .......      P21/n      
PLAT199_ALERT_1_G Check the Reported _cell_measurement_temperature        293 K    
PLAT200_ALERT_1_G Check the Reported   _diffrn_ambient_temperature        293 K    
PLAT909_ALERT_3_G Percentage of Observed Data at Theta(Max) still          66 Perc.

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

   2 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
   0 ALERT type 2 Indicator that the structure model may be wrong or deficient
   2 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


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
 Srikantamurthy N --  Synthesis
 Jeyaseelan S -- Data collection and processing
 Umesha K B -- Crystallization in various conditions
 Palani K -- Pharmocological studies
 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