(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2005). E61, o1182-o1183 [ doi:10.1107/S1600536805009499 ]

A perchlorate salt of 1-[(2-dimethylaminoethylimino)methyl]naphthalen-2-ol

C.-L. Yuan

Online 31 March 2005

Key indicators

Single-crystal X-ray study
T = 295 K
Mean (C-C) = 0.007 Å
Disorder in solvent or counterion
R factor = 0.080
wR factor = 0.190
Data-to-parameter ratio = 11.7

checkCIF/PLATON results

No syntax errors found




Alert level C
PLAT066_ALERT_1_C Predicted and Reported Transmissions Identical .          ?
PLAT244_ALERT_4_C Low   'Solvent' Ueq as Compared to Neighbors for        Cl1     
PLAT302_ALERT_4_C Anion/Solvent Disorder .........................      44.00 Perc. 
PLAT340_ALERT_3_C Low Bond Precision on C-C bonds (x 1000) Ang ...          7       
PLAT731_ALERT_1_C Bond    Calc     0.89(4), Rep   0.900(10) ......       4.00 su-Rat
              N1   -H1      1.555   1.555                                       
PLAT731_ALERT_1_C Bond    Calc     0.90(4), Rep   0.900(10) ......       4.00 su-Rat
              N2   -H2A     1.555   1.555                                       
PLAT735_ALERT_1_C D-H     Calc     0.90(4), Rep   0.900(10) ......       4.00 su-Rat
              N2   -H2A     1.555   1.555                                       
PLAT735_ALERT_1_C D-H     Calc     0.89(4), Rep   0.900(10) ......       4.00 su-Rat
              N1   -H1      1.555   1.555                                       

   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

   5 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
   0 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