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Acta Cryst. (2014). E70, o68-o69  [ doi:10.1107/S1600536813033540 ]

Ethyl 2-[2-(2,4-diphenyl-3-aza­bicyclo­[3.3.1]nonan-9-yl­idene)hydrazin-1-yl]-4-methyl-1,3-thia­zole-5-carboxyl­ate di­methyl­formamide monosolvate

S. Jothivel and S. Kabilan


Key indicators

checkCIF/PLATON results

No syntax errors found




Alert level C PLAT220_ALERT_2_C Large Non-Solvent C Ueq(max)/Ueq(min) ... 3.1 Ratio PLAT222_ALERT_3_C Large Non-Solvent H Uiso(max)/Uiso(min) .. 4.1 Ratio PLAT244_ALERT_4_C Low 'Solvent' Ueq as Compared to Neighbors of N5 Check PLAT340_ALERT_3_C Low Bond Precision on C-C Bonds ............... 0.0048 Ang. PLAT790_ALERT_4_C Centre of Gravity not Within Unit Cell: Resd. # 1 C27 H30 N4 O2 S
Alert level G PLAT002_ALERT_2_G Number of Distance or Angle Restraints on AtSite 9 Note PLAT003_ALERT_2_G Number of Uiso or Uij Restrained non-H Atoms ... 4 PLAT005_ALERT_5_G No _iucr_refine_instructions_details in the CIF Please Do ! PLAT153_ALERT_1_G The su's on the Cell Axes are Equal .......... 0.00500 Ang. PLAT199_ALERT_1_G Reported _cell_measurement_temperature ..... (K) 293 Check PLAT200_ALERT_1_G Reported _diffrn_ambient_temperature ..... (K) 293 Check PLAT301_ALERT_3_G Main Residue Disorder ............ Percentage = 6 Note PLAT380_ALERT_4_G Incorrectly? Oriented X(sp2)-Methyl Moiety ..... C27 Check PLAT380_ALERT_4_G Incorrectly? Oriented X(sp2)-Methyl Moiety ..... C28 Check PLAT790_ALERT_4_G Centre of Gravity not Within Unit Cell: Resd. # 2 C3 H7 N O PLAT793_ALERT_4_G The Model has Chirality at C7 (Verify) R PLAT793_ALERT_4_G The Model has Chirality at C8 (Verify) S PLAT793_ALERT_4_G The Model has Chirality at C15 (Verify) R PLAT793_ALERT_4_G The Model has Chirality at C17 (Verify) S PLAT860_ALERT_3_G Number of Least-Squares Restraints ............. 40 Note PLAT909_ALERT_3_G Percentage of Observed Data at Theta(Max) still 41 % PLAT910_ALERT_3_G Missing # of FCF Reflections Below Th(Min) ..... 1 Why ?
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 17 ALERT level G = General information/check it is not something unexpected 3 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 6 ALERT type 3 Indicator that the structure quality may be low 9 ALERT type 4 Improvement, methodology, query or suggestion 1 ALERT type 5 Informative message, check

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