(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2005). E61, o1883-o1884 [ doi:10.1107/S1600536805016296 ]

2-Amino-4-(4-chlorophenyl)-6-morpholinopyridine-3,5-dicarbonitrile

S.-J. Tu, T.-J. Li, S.-L. Zhu, X. Zou and Q. Wang

Online 28 May 2005

Key indicators

Single-crystal X-ray study
T = 193 K
Mean (C-C) = 0.003 Å
R factor = 0.041
wR factor = 0.095
Data-to-parameter ratio = 13.0

checkCIF/PLATON results

No syntax errors found




Alert level C
PLAT066_ALERT_1_C Predicted and Reported Transmissions Identical .          ?
PLAT230_ALERT_2_C Hirshfeld Test Diff for    C2     -   C6      ..       5.47 su    
PLAT230_ALERT_2_C Hirshfeld Test Diff for    C4     -   C13     ..       5.27 su    
PLAT371_ALERT_2_C Long   C(sp2)-C(sp1) Bond  C2     -   C6     ...       1.43 Ang.  
PLAT371_ALERT_2_C Long   C(sp2)-C(sp1) Bond  C4     -   C13    ...       1.43 Ang.  
PLAT431_ALERT_2_C Short Inter HL..A Contact  Cl1    ..  N3      ..       3.15 Ang.  
PLAT431_ALERT_2_C Short Inter HL..A Contact  Cl1    ..  O1      ..       3.25 Ang.  
PLAT432_ALERT_2_C Short Inter X...Y Contact  N4     ..  C5      ..       3.03 Ang.  

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

   1 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
   7 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