(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2006). E62, o5063-o5064 [ doi:10.1107/S160053680604181X ]

2-{[2-Chloro-5-(4-methoxyphenyl)pyridin-3-yl](hydroxy)methyl}acrylonitrile

G. Y. S. K. Swamy, K. Ravikumar, P. Narender and V. J. Rao

Online 18 October 2006

Key indicators

Single-crystal X-ray study
T = 273 K
Mean (C-C) = 0.003 Å
R factor = 0.054
wR factor = 0.131
Data-to-parameter ratio = 18.1

checkCIF/PLATON results

No syntax errors found




Alert level C
PLAT125_ALERT_4_C No _symmetry_space_group_name_Hall Given .......          ?
PLAT371_ALERT_2_C Long   C(sp2)-C(sp1) Bond  C14    -   C15    ...       1.43 Ang. 
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #         33     
            C16 -C14 -C15 -N2    166.00  4.00   1.555   1.555   1.555   1.555  
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #         34     
            C13 -C14 -C15 -N2    -12.00  4.00   1.555   1.555   1.555   1.555  

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