(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2008). E64, o2265 [ doi:10.1107/S1600536808035071 ]

2-Bromo-4-chloro-6-[(2,6-diisopropylphenyl)iminomethyl]phenol

K. K. Raja, I. M. Bilal, S. Thambidurai, G. Rajagopal and A. SubbiahPandi

Key indicators

Single-crystal X-ray study
T = 293 K
Mean (C-C) = 0.007 Å
R factor = 0.045
wR factor = 0.146
Data-to-parameter ratio = 16.1

checkCIF/PLATON results

No syntax errors found




Alert level B
PLAT220_ALERT_2_B Large Non-Solvent    C     Ueq(max)/Ueq(min) ...       4.14 Ratio
PLAT222_ALERT_3_B Large Non-Solvent    H     Ueq(max)/Ueq(min) ...       4.95 Ratio
PLAT242_ALERT_2_B Check Low       Ueq as Compared to Neighbors for         C7     
PLAT242_ALERT_2_B Check Low       Ueq as Compared to Neighbors for        C10     
PLAT242_ALERT_2_B Check Low       Ueq as Compared to Neighbors for        C26     

Alert level C
            Value of measurement temperature given =   293.000
            Value of melting point given =     0.000
SHFSU01_ALERT_2_C  Test not performed. _refine_ls_shift/su_max and
            _refine_ls_shift/esd_max not present.
            Absolute value of the parameter shift to su ratio given   0.001
PLAT220_ALERT_2_C Large Non-Solvent    C     Ueq(max)/Ueq(min) ...       3.46 Ratio
PLAT222_ALERT_3_C Large Non-Solvent    H     Ueq(max)/Ueq(min) ...       3.95 Ratio
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for        C29     
PLAT066_ALERT_1_C Predicted and Reported Transmissions Identical .          ?
PLAT234_ALERT_4_C Large Hirshfeld Difference C6     --  C7      ..       0.10  Ang.
PLAT234_ALERT_4_C Large Hirshfeld Difference C10    --  C12     ..       0.17  Ang.
PLAT234_ALERT_4_C Large Hirshfeld Difference C20    --  C21     ..       0.10  Ang.

Alert level G
PLAT199_ALERT_1_G Check the Reported _cell_measurement_temperature        293 K    
PLAT200_ALERT_1_G Check the Reported _diffrn_ambient_temperature .        293 K    

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

   3 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
   2 ALERT type 3 Indicator that the structure quality may be low
   3 ALERT type 4 Improvement, methodology, query or suggestion
   0 ALERT type 5 Informative message, check