Acta Cryst. (2009). E65, o2147  [ doi:10.1107/S1600536809031419 ]

5-(2-Furyl)-3-methyl-1-(3-nitrophenyl)-4,5-dihydro-1H-pyrazole

J. Chen, H. Li, C. Huang and J. Wu

Online 15 August 2009

Key indicators

• Single-crystal X-ray study
• T = 296 K
• Mean (C-C) = 0.003 Å
• R factor = 0.044
• wR factor = 0.121
• Data-to-parameter ratio = 14.3

checkCIF/PLATON results

No syntax errors found




Alert level C
PLAT230_ALERT_2_C Hirshfeld Test Diff for    N3     --  C13     ..       6.08 su   

Alert level G
PLAT063_ALERT_4_G Crystal Size Likely too Large for Beam Size ....       0.31 mm   
PLAT154_ALERT_1_G The su's on the Cell Angles are Equal  (x 10000)        200 Deg. 
PLAT380_ALERT_4_G Check Incorrectly? Oriented X(sp2)-Methyl Moiety         C8     
PLAT793_ALERT_4_G The Model has Chirality at C5      (Verify) ....          R      

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

   1 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
   0 ALERT type 3 Indicator that the structure quality may be low
   3 ALERT type 4 Improvement, methodology, query or suggestion
   0 ALERT type 5 Informative message, check

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