(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2005). E61, o4268-o4269 [ doi:10.1107/S1600536805036627 ]

5,5-Dimethyl-4-(3-nitrophenyl)-2-oxo-2-(2-pyridylamino)-1,3,2-dioxaphosphorinane

Y. Yu, C. Liu and X. Yang

Online 26 November 2005

Key indicators

Single-crystal X-ray study
T = 292 K
Mean (C-C) = 0.004 Å
R factor = 0.048
wR factor = 0.161
Data-to-parameter ratio = 14.7

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    O2     -   N1      ..       5.44 su    
PLAT731_ALERT_1_C Bond    Calc     0.86(2), Rep    0.860(9) ......       2.22 su-Rat
              N2   -H2      1.555   1.555                                       
PLAT735_ALERT_1_C D-H     Calc     0.86(2), Rep    0.860(9) ......       2.22 su-Rat
              N2   -H2      1.555   1.555                                       
PLAT736_ALERT_1_C H...A   Calc     1.91(2), Rep    1.906(9) ......       2.22 su-Rat
              H2   -O5      1.555   2.676                                       

   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

   4 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
   0 ALERT type 4 Improvement, methodology, query or suggestion