Acta Cryst. (2006). E62, o1086-o1088  [ doi:10.1107/S1600536806005101 ]

Sumatriptan, an antimigraine drug

K. Ravikumar, B. Sridhar and H. Krishnan

Online 22 February 2006

Key indicators

• Single-crystal X-ray study
• T = 273 K
• Mean (C-C) = 0.003 Å
• R factor = 0.045
• wR factor = 0.127
• Data-to-parameter ratio = 14.1

checkCIF/PLATON results

No syntax errors found




Alert level C
PLAT094_ALERT_2_C Ratio of Maximum / Minimum Residual Density ....       2.09       
PLAT230_ALERT_2_C Hirshfeld Test Diff for    N1     -   C10     ..       5.13 su    
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for         N1     

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

   0 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
   3 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

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