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Acta Cryst. (2005). E61, o863-o865  [ doi:10.1107/S1600536805006240 ]

3-(2,4-Dichlorophenyl)-4-[(1E)-(2,4-dichlorophenyl)methyleneamino]-4,5-dihydro-1H-1,2,4-triazole-5-thione dimethylformamide solvate

X.-N. Fang, F. Zhong, M.-Z. Dai and R.-H. Hu

Online 11 March 2005


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Alert level C PLAT230_ALERT_2_C Hirshfeld Test Diff for N3 - N4 .. 5.06 su PLAT230_ALERT_2_C Hirshfeld Test Diff for C5 - C6 .. 5.64 su PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for C1 PLAT243_ALERT_4_C High 'Solvent' Ueq as Compared to Neighbors for C16 PLAT244_ALERT_4_C Low 'Solvent' Ueq as Compared to Neighbors for N5 PLAT340_ALERT_3_C Low Bond Precision on C-C bonds (x 1000) Ang ... 5
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 25.00 From the CIF: _reflns_number_total 3377 Count of symmetry unique reflns 2085 Completeness (_total/calc) 161.97% TEST3: Check Friedels for noncentro structure Estimate of Friedel pairs measured 1292 Fraction of Friedel pairs measured 0.620 Are heavy atom types Z>Si present yes
0 ALERT level A = In general: serious problem 0 ALERT level B = Potentially serious problem 6 ALERT level C = Check and explain 1 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 3 ALERT type 4 Improvement, methodology, query or suggestion

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