Acta Cryst. (2005). E61, o822-o823  [ doi:10.1107/S1600536805005568 ]

2-(Methylsulfanyl)nicotinic acid

S. Basavoju, C. M. Reddy and G. R. Desiraju

Online 4 March 2005

Key indicators

• Single-crystal X-ray study
• T = 298 K
• Mean (C-C) = 0.005 Å
• R factor = 0.071
• wR factor = 0.177
• Data-to-parameter ratio = 13.9

checkCIF/PLATON results

No syntax errors found




Alert level C
PLAT094_ALERT_2_C Ratio of Maximum / Minimum Residual Density ....       2.51       
PLAT125_ALERT_4_C No _symmetry_space_group_name_Hall Given .......          ?
PLAT250_ALERT_2_C Large U3/U1 Ratio for Average U(i,j) Tensor ....       2.72       
PLAT340_ALERT_3_C Low Bond Precision on C-C bonds (x 1000) Ang ...          5       

   0 ALERT level A = In general: serious problem
   0 ALERT level B = Potentially serious problem
   4 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
   2 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

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