(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2009). E65, o4 [ doi:10.1107/S1600536808039998 ]

N-[4-Acetyl-5-isobutyl-5-(2-p-tolylpropyl)-4,5-dihydro-1,3,4-thiadiazol-2-yl]acetamide ethyl acetate hemisolvate

M. Loughzail, N. Mazoir, C. M. Maya, M. Berraho, A. Benharref and N. Bouhmaida

Online 3 December 2008

Key indicators

Single-crystal X-ray study
T = 295 K
Mean (C-C) = 0.002 Å
Disorder in solvent or counterion
R factor = 0.065
wR factor = 0.143
Data-to-parameter ratio = 24.3

checkCIF/PLATON results

No syntax errors found




Alert level C
            Value of measurement temperature given =   295.000
            Value of melting point given =     0.000
PLAT220_ALERT_2_C Large Non-Solvent    C     Ueq(max)/Ueq(min) ...       3.10 Ratio
PLAT222_ALERT_3_C Large Non-Solvent    H     Ueq(max)/Ueq(min) ...       3.70 Ratio

Alert level G
PLAT200_ALERT_1_G Check the Reported _diffrn_ambient_temperature .        293 K    
PLAT302_ALERT_4_G Anion/Solvent Disorder .........................      50.00 Perc.
PLAT793_ALERT_4_G The Model has Chirality at C7      (Verify) ....          S      

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

   1 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
   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


checkCIF publication errors

Alert level A
PUBL024_ALERT_1_A The number of authors is greater than 5.
              Please specify the role of each of the co-authors
              for your paper.

Author Response: The authors Ghzail and Mazoir performed isolation of the substance and analyses. Author C\'elia Maya , has performed data collection of the compound. Authors Berraho and Bouhmaida have resolved the structure and prepared the publication. Finally authors Benharref is the responsible of thesis.


   1 ALERT level A = Data missing that is essential or data in wrong format
   0 ALERT level G = General alerts. Data that may be required is missing