(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2013). E69, o310
[ doi:10.1107/S1600536813002377 ]

A second monoclinic polymorph of (E)-phenyl(pyridin-2-yl)methanone oxime

M. I. Rodríguez-Mora, R. Reyes-Martínez, M. Flores-Alamo, J. J. García and D. Morales-Morales

Key indicators

Single-crystal X-ray study
T = 130 K
Mean (C-C) = 0.002 Å
R factor = 0.042
wR factor = 0.107
Data-to-parameter ratio = 13.8

checkCIF/PLATON results

No syntax errors found




Alert level C
PLAT230_ALERT_2_C Hirshfeld Test Diff for    C10    --  C11     ..        6.2 su   
PLAT480_ALERT_4_C Long H...A H-Bond Reported H1D    ..  O1      ..       2.61 Ang. 
PLAT910_ALERT_3_C Missing # of FCF Reflections Below Th(Min) .....          3      

Alert level G
PLAT002_ALERT_2_G Number of Distance or Angle Restraints on AtSite          2      
PLAT005_ALERT_5_G No _iucr_refine_instructions_details  in the CIF          ?
PLAT128_ALERT_4_G Alternate Setting of Space-group P21/c   .......      P21/n      
PLAT860_ALERT_3_G Note: Number of Least-Squares Restraints .......          1      

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

   0 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
   2 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
   2 ALERT type 4 Improvement, methodology, query or suggestion
   1 ALERT type 5 Informative message, check