Acta Cryst. (2008). E64, o975  [ doi:10.1107/S1600536808010969 ]

4-[(1H-Benzotriazol-1-yl)methyl]benzonitrile

W.-X. Wang and H. Zhao

Online 3 May 2008

Key indicators

• Single-crystal X-ray study
• T = 293 K
• Mean (C-C) = 0.004 Å
• R factor = 0.067
• wR factor = 0.182
• Data-to-parameter ratio = 16.7

checkCIF/PLATON results

No syntax errors found




Alert level C
PLAT066_ALERT_1_C Predicted and Reported Transmissions Identical .          ?
PLAT180_ALERT_3_C Check Cell Rounding: # of Values Ending with 0 =          3      
PLAT230_ALERT_2_C Hirshfeld Test Diff for    N1     -   C6      ..       6.94 su   
PLAT230_ALERT_2_C Hirshfeld Test Diff for    N3     -   C5      ..       6.27 su   
PLAT230_ALERT_2_C Hirshfeld Test Diff for    C1     -   C2      ..       5.81 su   
PLAT371_ALERT_2_C Long   C(sp2)-C(sp1) Bond  C11    -   C14    ...       1.45 Ang. 

Alert level G
PLAT199_ALERT_1_G Check the Reported _cell_measurement_temperature        293 K    
PLAT200_ALERT_1_G Check the Reported _diffrn_ambient_temperature .        293 K    

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

   3 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
   0 ALERT type 4 Improvement, methodology, query or suggestion
   0 ALERT type 5 Informative message, check

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