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Acta Cryst. (2008). E64, o1590-o1591  [ doi:10.1107/S1600536808022794 ]

4-Amino-3-{1-[4-(2-methylpropyl)phenyl]ethyl}-1H-1,2,4-triazole-5(4H)-thione

H.-K. Fun, K. V. Sujith, P. S. Patil, B. Kalluraya and S. Chantrapromma

Online 26 July 2008


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Alert level B PLAT220_ALERT_2_B Large Non-Solvent C Ueq(max)/Ueq(min) ... 4.07 Ratio PLAT222_ALERT_3_B Large Non-Solvent H Ueq(max)/Ueq(min) ... 4.80 Ratio
Alert level C PLAT301_ALERT_3_C Main Residue Disorder ......................... 10.00 Perc. PLAT420_ALERT_2_C D-H Without Acceptor N4 - H4B ... ?
Alert level G REFLT03_ALERT_4_G Please check that the estimate of the number of Friedel pairs is correct. If it is not, please give the correct count in the _publ_section_exptl_refinement section of the submitted CIF. From the CIF: _diffrn_reflns_theta_max 29.98 From the CIF: _reflns_number_total 3612 Count of symmetry unique reflns 2318 Completeness (_total/calc) 155.82% TEST3: Check Friedels for noncentro structure Estimate of Friedel pairs measured 1294 Fraction of Friedel pairs measured 0.558 Are heavy atom types Z>Si present yes PLAT860_ALERT_3_G Note: Number of Least-Squares Restraints ....... 29 PLAT791_ALERT_4_G Confirm the Absolute Configuration of C3 ... S
0 ALERT level A = In general: serious problem 2 ALERT level B = Potentially serious problem 2 ALERT level C = Check and explain 3 ALERT level G = General alerts; check 0 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 3 ALERT type 3 Indicator that the structure quality may be low 2 ALERT type 4 Improvement, methodology, query or suggestion 0 ALERT type 5 Informative message, check

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