[Open access]

[Contents scheme]

Acta Cryst. (2013). E69, o1813-o1814
[ doi:10.1107/S1600536813031127 ]

3-(Adamantan-1-yl)-1-[(4-benzyl­piperazin-1-yl)meth­yl]-4-ethyl-1H-1,2,4-triazole-5(4H)-thione

E. S. Al-Abdullah, H. M. Al-Tuwaijri, A. A. El-Emam, C. S. Chidan Kumar and H.-K. Fun


Key indicators

checkCIF/PLATON results

No syntax errors found




Alert level C PLAT029_ALERT_3_C _diffrn_measured_fraction_theta_full Low ....... 0.968 PLAT230_ALERT_2_C Hirshfeld Test Diff for S1 -- C13 .. 5.3 su PLAT790_ALERT_4_C Centre of Gravity not Within Unit Cell: Resd. # 1 C26 H37 N5 S PLAT906_ALERT_3_C Large K value in the Analysis of Variance ...... 2.478 Check PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L= 0.599 103
Alert level G PLAT005_ALERT_5_G No _iucr_refine_instructions_details in the CIF Please Do ! PLAT063_ALERT_4_G Crystal Size Likely too Large for Beam Size .... 0.69 mm PLAT154_ALERT_1_G The su's on the Cell Angles are Equal .......... 0.00100 Deg. PLAT793_ALERT_4_G The Model has Chirality at C23 (Verify) R PLAT909_ALERT_3_G Percentage of Observed Data at Theta(Max) still 86 %
0 ALERT level A = Most likely a serious problem - resolve or explain 0 ALERT level B = A potentially serious problem, consider carefully 5 ALERT level C = Check. Ensure it is not caused by an omission or oversight 5 ALERT level G = General information/check it is not something unexpected 1 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 4 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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