Acta Cryst. (2006). E62, o5369-o5370  [ doi:10.1107/S1600536806045235 ]

2-Benzylmalononitrile

Y.-P. Luo and H.-B. Zhou

Online 3 November 2006

Key indicators

• Single-crystal X-ray study
• T = 292 K
• Mean (C-C) = 0.003 Å
• R factor = 0.055
• wR factor = 0.174
• Data-to-parameter ratio = 17.8

checkCIF/PLATON results

No syntax errors found




Alert level B
ABSMU01_ALERT_1_B  The ratio of given/expected absorption coefficient lies
               outside the range 0.95 <> 1.05
            Calculated value of mu =     0.074
            Value of mu given      =     0.070

Alert level C
PLAT066_ALERT_1_C Predicted and Reported Transmissions Identical .          ?
PLAT230_ALERT_2_C Hirshfeld Test Diff for    C8     -   C9      ..       6.32 su   

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

   2 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
   0 ALERT type 4 Improvement, methodology, query or suggestion
   0 ALERT type 5 Informative message, check

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