Acta Cryst. (2010). E66, o3036  [ doi:10.1107/S1600536810043825 ]

3,3-Dinitroazetidinium 2-hydroxybenzoate

R. Gao, B. Yan, T. Mai, Y. Hu and Y.-L. Guan

Online 31 October 2010

Key indicators

• Single-crystal X-ray study
• T = 296 K
• Mean (C-C) = 0.003 Å
• R factor = 0.040
• wR factor = 0.128
• Data-to-parameter ratio = 12.1

checkCIF/PLATON results

No syntax errors found




Alert level B
PLAT430_ALERT_2_B Short Inter D...A Contact  O6     ..  N2      ..       2.85 Ang. 

Alert level C
PLAT230_ALERT_2_C Hirshfeld Test Diff for    O6     --  C10     ..       5.25 su   
PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L=  0.597         15      

Alert level G
PLAT432_ALERT_2_G Short Inter X...Y Contact  O5     ..  C3      ..       2.86 Ang. 
PLAT432_ALERT_2_G Short Inter X...Y Contact  O6     ..  C1      ..       2.98 Ang. 
PLAT128_ALERT_4_G Alternate Setting of Space-group P21/c   .......      P21/n      

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

   0 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
   4 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
   0 ALERT type 5 Informative message, check

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