(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2005). E61, o2243-o2245 [ doi:10.1107/S1600536805019057 ]

N-(Pyridin-2-yl)hydrazinecarbothioamide

P. F. Rapheal, E. Manoj, M. R. P. Kurup and E. Suresh

Online 24 June 2005

Key indicators

Single-crystal X-ray study
T = 293 K
Mean (C-C) = 0.002 Å
R factor = 0.035
wR factor = 0.107
Data-to-parameter ratio = 15.6

checkCIF/PLATON results

No syntax errors found



Alert level A
PLAT707_ALERT_1_A D...A   Calc   19.064(3), Rep    3.058(2), Dev..    5335.33 Sigma 
              N2   -N4      1.555   4.565                                       
PLAT726_ALERT_1_A H...A   Calc    18.83000, Rep     2.21000 Dev...      16.62 Ang.  
              H5   -N4      1.555   4.565                                       
PLAT728_ALERT_1_A D-H..A  Calc      105.00, Rep      169.00 Dev...      64.00 Deg.  
              N2   -H5   -N4      1.555   1.555   4.565                         

Alert level C
PLAT199_ALERT_1_C Check the Reported _cell_measurement_temperature        293 K     
PLAT200_ALERT_1_C Check the Reported _diffrn_ambient_temperature .        293 K     
PLAT230_ALERT_2_C Hirshfeld Test Diff for    S1     -   C6      ..       5.63 su    
PLAT352_ALERT_3_C Short   N-H Bond (0.87A)   N4     -   H7     ...       0.75 Ang.  
PLAT420_ALERT_2_C D-H Without Acceptor       N4     -   H8     ...          ?       

   3 ALERT level A = In general: serious problem
   0 ALERT level B = Potentially serious problem
   5 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
   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
   0 ALERT type 4 Improvement, methodology, query or suggestion