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Acta Cryst. (2013). E69, o857-o858
[ doi:10.1107/S1600536813011513 ]

6'-(1,3-Diphenyl-1H-pyrazol-4-yl)-7'-(1H-indol-3-ylcarbonyl)-2-oxo-1-(prop-2-en-1-yl)-5',6',7',7a'-tetrahydro-1'H-spiro[indoline-3,5'-pyrrolo[1,2-c][1,3]thiazole]-7'-carbonitrile

P. S. Kannan, D. Kathirvelan, B. S. R. Reddy, E. Govindan and A. SubbiahPandi


Key indicators

checkCIF/PLATON results

No syntax errors found



Datablock: I



Alert level B PLAT220_ALERT_2_B Large Non-Solvent C Ueq(max)/Ueq(min) ... 5.3 Ratio
Alert level C PLAT222_ALERT_3_C Large Non-Solvent H Uiso(max)/Uiso(min) .. 5.3 Ratio PLAT230_ALERT_2_C Hirshfeld Test Diff for C40 -- C41 .. 5.1 su PLAT234_ALERT_4_C Large Hirshfeld Difference N6 -- C39' .. 0.18 Ang. PLAT241_ALERT_2_C Check High Ueq as Compared to Neighbors for S1 PLAT331_ALERT_2_C Small Average Phenyl C-C Dist. C17 -C22 1.37 Ang. PLAT334_ALERT_2_C Small Average Benzene C-C Dist. C1 -C6 1.37 Ang. PLAT340_ALERT_3_C Low Bond Precision on C-C Bonds ............... 0.0053 Ang PLAT905_ALERT_3_C Negative K value in the Analysis of Variance ... -21.415 PLAT905_ALERT_3_C Negative K value in the Analysis of Variance ... -1.895 PLAT905_ALERT_3_C Negative K value in the Analysis of Variance ... 0.000
Alert level G PLAT002_ALERT_2_G Number of Distance or Angle Restraints on AtSite 7 PLAT003_ALERT_2_G Number of Uiso or Uij Restrained Atom Sites .... 6 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 PLAT199_ALERT_1_G Check the Reported _cell_measurement_temperature 293 K PLAT200_ALERT_1_G Check the Reported _diffrn_ambient_temperature 293 K PLAT242_ALERT_2_G Check Low Ueq as Compared to Neighbors for C40 PLAT301_ALERT_3_G Note: Main Residue Disorder ................... 6 Perc. PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 101 C13 -C12 -C38 -N2 -130.00 6.00 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 102 C11 -C12 -C38 -N2 118.00 6.00 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 103 C29 -C12 -C38 -N2 -6.00 6.00 1.555 1.555 1.555 1.555 PLAT779_ALERT_4_G Suspect or Irrelevant (Bond) Angle in CIF .... # 146 C39 -N6 -C39' 1.555 1.555 1.555 17.00 Deg. PLAT793_ALERT_4_G The Model has Chirality at C8 (Verify) .... S PLAT793_ALERT_4_G The Model has Chirality at C11 (Verify) .... R PLAT793_ALERT_4_G The Model has Chirality at C12 (Verify) .... S PLAT793_ALERT_4_G The Model has Chirality at C13 (Verify) .... S PLAT860_ALERT_3_G Note: Number of Least-Squares Restraints ....... 48
0 ALERT level A = Most likely a serious problem - resolve or explain 1 ALERT level B = A potentially serious problem, consider carefully 10 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 2 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 8 ALERT type 2 Indicator that the structure model may be wrong or deficient 7 ALERT type 3 Indicator that the structure quality may be low 10 ALERT type 4 Improvement, methodology, query or suggestion 1 ALERT type 5 Informative message, check

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