(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2004). E60, o1292-o1293 [ doi:10.1107/S1600536804015806 ]

N'-(Benzenesulfonyl)-4-methylthiazole-5-carbohydrazide

Q. B. Song, Z. M. Jin, H. B. Wang and B. Jiang

Online 9 July 2004

Key indicators

Single-crystal X-ray study
T = 293 K
Mean (C-C) = 0.003 Å
R factor = 0.034
wR factor = 0.094
Data-to-parameter ratio = 12.6

checkCIF/PLATON results

No syntax errors found




Alert level B
ABSTM02_ALERT_3_B  The ratio of expected to reported Tmax/Tmin(RR') is < 0.75
            Tmin and Tmax reported:      0.430     0.850
            Tmin' and Tmax expected:      0.823     0.850
            RR' =      0.522
            Please check that your absorption correction is appropriate.
PLAT061_ALERT_3_B Tmax/Tmin Range Test RR' too Large .............       0.52       
PLAT482_ALERT_4_B Small D-H..A Angle Rep for C5     ..  O1      ..      85.00 Deg.  

Alert level C
PLAT125_ALERT_4_C No _symmetry_space_group_name_Hall Given .......          ?
PLAT322_ALERT_2_C Check Hybridisation of  S1     in Main Residue .          ?     
PLAT380_ALERT_4_C Incorrectly Oriented X(sp2)-Methyl Moiety ......         C5     
PLAT480_ALERT_4_C Long H...A H-Bond Reported H5C    ..  O1      ..       2.83 Ang.  
PLAT480_ALERT_4_C Long H...A H-Bond Reported H7     ..  O2      ..       2.61 Ang.  
PLAT480_ALERT_4_C Long H...A H-Bond Reported H11    ..  O3      ..       2.64 Ang.  
PLAT480_ALERT_4_C Long H...A H-Bond Reported H10    ..  O2      ..       2.86 Ang.  

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

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