Acta Cryst. (2005). E61, o1953-o1955  [ doi:10.1107/S1600536805015953 ]

4-Allyl-2-(morpholin-4-ylmethyl)-5-(pyridin-4-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione

M. Dinçer, N. Özdemir, N. Dege, A. Çetin, A. Cansiz and M. Sekerci

Online 31 May 2005

Key indicators

• Single-crystal X-ray study
• T = 296 K
• Mean (C-C) = 0.002 Å
• R factor = 0.040
• wR factor = 0.115
• Data-to-parameter ratio = 22.4

checkCIF/PLATON results

No syntax errors found




Alert level C
PLAT063_ALERT_3_C Crystal Probably too Large for Beam Size .......       0.62 mm    
PLAT220_ALERT_2_C Large Non-Solvent    C     Ueq(max)/Ueq(min) ...       2.60 Ratio 
PLAT230_ALERT_2_C Hirshfeld Test Diff for    S1     -   C1      ..       6.78 su    
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for        C14     

   0 ALERT level A = In general: serious problem
   0 ALERT level B = Potentially serious problem
   4 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
   3 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

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