(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2005). E61, o1916-o1918 [ doi:10.1107/S160053680501562X ]

N-Butyl-N-o-tolylbenzenesulfonamide

G. Usha, S. Selvanayagam, D. Velmurugan, K. Ravikumar, P. Jaisankar and P. C. Srinivasan

Online 28 May 2005

Key indicators

Single-crystal X-ray study
T = 273 K
Mean (C-C) = 0.004 Å
R factor = 0.061
wR factor = 0.179
Data-to-parameter ratio = 18.9

checkCIF/PLATON results

No syntax errors found




Alert level C
PLAT029_ALERT_3_C _diffrn_measured_fraction_theta_full Low .......       0.96       
PLAT094_ALERT_2_C Ratio of Maximum / Minimum Residual Density ....       2.22       
PLAT220_ALERT_2_C Large Non-Solvent    C     Ueq(max)/Ueq(min) ...       2.85 Ratio 
PLAT222_ALERT_3_C Large Non-Solvent    H     Ueq(max)/Ueq(min) ...       3.01 Ratio 
PLAT230_ALERT_2_C Hirshfeld Test Diff for    C16    -   C17     ..       6.38 su    

   0 ALERT level A = In general: serious problem
   0 ALERT level B = Potentially serious problem
   5 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
   2 ALERT type 3 Indicator that the structure quality may be low
   0 ALERT type 4 Improvement, methodology, query or suggestion