[Open access]

[Contents scheme]

Acta Cryst. (2013). E69, o685-o686
[ doi:10.1107/S1600536813009264 ]

3-(Adamantan-1-yl)-4-[(E)-(2,6-difluorobenzylidene)amino]-1-[(4-ethylpiperazin-1-yl)methyl]-4,5-dihydro-1H-1,2,4-triazole-5-thione

A.-M.S. Al-Tamimi, E. S. Al-Abdullah, A. A. El-Emam, S. W. Ng and E. R. T. Tiekink


Key indicators

checkCIF/PLATON results

No syntax errors found




Alert level B PLAT481_ALERT_4_B Long D...A H-Bond Reported C1 .. CG1 .. 4.85 Ang.
Author Response: This is associated with a C---S...\p interaction discussed in the text.
PLAT776_ALERT_1_B Suspect D-H Dist in CIF:   C1     --  S1      ..       1.66 Ang. 
Author Response: This is associated with a C---S...\p interaction discussed in the text.

Alert level C PLAT220_ALERT_2_C Large Non-Solvent C Ueq(max)/Ueq(min) ... 3.5 Ratio PLAT230_ALERT_2_C Hirshfeld Test Diff for N6 -- C22 .. 6.0 su PLAT906_ALERT_3_C Large K value in the Analysis of Variance ...... 2.979 PLAT910_ALERT_3_C Missing # of FCF Reflections Below Th(Min) ..... 5
Alert level G PLAT005_ALERT_5_G No _iucr_refine_instructions_details in the CIF ? PLAT128_ALERT_4_G Alternate Setting of Space-group P21/c ....... P21/n PLAT793_ALERT_4_G The Model has Chirality at C9 (Verify) .... S
0 ALERT level A = Most likely a serious problem - resolve or explain 2 ALERT level B = A potentially serious problem, consider carefully 4 ALERT level C = Check. Ensure it is not caused by an omission or oversight 3 ALERT level G = General information/check it is not something unexpected 1 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 2 ALERT type 3 Indicator that the structure quality may be low 3 ALERT type 4 Improvement, methodology, query or suggestion 1 ALERT type 5 Informative message, check

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