(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2009). E65, o2365-o2366 [ doi:10.1107/S1600536809035363 ]

4-[(E)-(2,4-Difluorophenyl)(hydroxyimino)methyl]piperidinium picrate

J. P. Jasinski, R. J. Butcher, H. S. Yathirajan, L. Mallesha and K. N. Mohana

Online 5 September 2009

Key indicators

Single-crystal X-ray study
T = 110 K
Mean (C-C) = 0.002 Å
Disorder in main residue
R factor = 0.042
wR factor = 0.115
Data-to-parameter ratio = 12.9

checkCIF/PLATON results

No syntax errors found




Alert level C
PLAT230_ALERT_2_C Hirshfeld Test Diff for    O41B   --  N4B     ..       5.66 su   
PLAT230_ALERT_2_C Hirshfeld Test Diff for    O62B   --  N6B     ..       5.46 su   
PLAT366_ALERT_2_C Short? C(sp?)-C(sp?) Bond  C1     -   C2     ...       1.39 Ang. 
PLAT366_ALERT_2_C Short? C(sp?)-C(sp?) Bond  C2     -   C3     ...       1.38 Ang. 
PLAT431_ALERT_2_C Short Inter HL..A Contact  F1A    ..  O61B    ..       2.80 Ang. 
PLAT432_ALERT_2_C Short Inter X...Y Contact  O41B   ..  C3      ..       2.97 Ang. 

Alert level G
PLAT301_ALERT_3_G Note: Main Residue  Disorder ...................       3.00 Perc.
PLAT128_ALERT_4_G Non-standard setting of Space-group P21/c   ....      P21/n      
PLAT720_ALERT_4_G Number of Unusual/Non-Standard Labels ..........          2      

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

   0 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
   6 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
   2 ALERT type 4 Improvement, methodology, query or suggestion
   0 ALERT type 5 Informative message, check