(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2008). E64, o1938 [ doi:10.1107/S160053680802905X ]

N'-(3-Bromo-5-chloro-2-hydroxybenzylidene)-4-hydroxybenzohydrazide

L.-W. Xue, Y.-J. Han, C.-J. Hao, G.-Q. Zhao and Q.-R. Liu

Key indicators

Single-crystal X-ray study
T = 298 K
Mean (C-C) = 0.004 Å
R factor = 0.039
wR factor = 0.101
Data-to-parameter ratio = 15.4

checkCIF/PLATON results

No syntax errors found




Alert level C
PLAT414_ALERT_2_C Short Intra D-H..H-X       H2     ..  H14     ..       1.99 Ang. 
PLAT431_ALERT_2_C Short Inter HL..A Contact  Br1    ..  Cl1     ..       3.55 Ang. 
PLAT062_ALERT_4_C Rescale T(min) & T(max) by .....................       0.96      
PLAT125_ALERT_4_C No _symmetry_space_group_name_Hall Given .......          ?

Alert level G
PLAT860_ALERT_3_G Note: Number of Least-Squares Restraints .......          1      

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

   0 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
   2 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
PUBL022_ALERT_1_A There is a mismatched ~ on line 148
              C~14~H~10~BrClN~2~O~3,
              If you require a ~ then it should be escaped
              with a \, i.e. \~
              Otherwise there must be a matching closing ~, e.g. C~2~H~4~

   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