(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2004). E60, o1405-o1407 [ doi:10.1107/S1600536804017660 ]

5-(Furan-2-yl)-4-(p-tolyl)-2,4-dihydro-1,2,4-triazole-3-thione

N. Dege, O. Andac, A. Cansiz, A. Çetin, M. Sekerci and M. Dinçer

Online 24 July 2004

Key indicators

Single-crystal X-ray study
T = 293 K
Mean (C-C) = 0.005 Å
R factor = 0.058
wR factor = 0.110
Data-to-parameter ratio = 15.4

checkCIF/PLATON results

No syntax errors found



Alert level A
PLAT480_ALERT_4_A Long H...A H-Bond Reported H3     ..  CGP     ..       2.96 Ang.  

Alert level B
PLAT480_ALERT_4_B Long H...A H-Bond Reported H1     ..  CGP     ..       2.85 Ang.  

Alert level C
PLAT340_ALERT_3_C Low Bond Precision on C-C bonds (x 1000) Ang ...          5       
PLAT480_ALERT_4_C Long H...A H-Bond Reported H12    ..  O1      ..       2.75 Ang.  
PLAT480_ALERT_4_C Long H...A H-Bond Reported H12    ..  N1      ..       2.69 Ang.  
PLAT481_ALERT_4_C Long D...A H-Bond Reported C1     ..  CGP     ..       3.66 Ang.  
PLAT481_ALERT_4_C Long D...A H-Bond Reported C3     ..  CGP     ..       3.71 Ang.  

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