[Open access]

[Contents scheme]

Acta Cryst. (2013). E69, o706-o707
[ doi:10.1107/S1600536813009148 ]

Ethyl 3-(4-chlorobenzoyl)-1-(4-chlorobenzyl)-4-(4-chlorophenyl)-2,2-dioxo-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]thiazine-1-carboxylate

A. Chitradevi, S. Athimoolam, S. A. Bahadur, S. Indumathi and S. Perumal


Key indicators

checkCIF/PLATON results

No syntax errors found




Alert level B PLAT241_ALERT_2_B Check High Ueq as Compared to Neighbors for C7
Alert level C PLAT220_ALERT_2_C Large Non-Solvent C Ueq(max)/Ueq(min) ... 3.1 Ratio PLAT241_ALERT_2_C Check High Ueq as Compared to Neighbors for C47 PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for C48 PLAT334_ALERT_2_C Small Average Benzene C-C Dist. C45 -C50 1.37 Ang. PLAT340_ALERT_3_C Low Bond Precision on C-C Bonds ............... 0.0045 Ang PLAT480_ALERT_4_C Long H...A H-Bond Reported H6A .. O3 .. 2.70 Ang. PLAT480_ALERT_4_C Long H...A H-Bond Reported H8B .. CL3 .. 2.86 Ang. PLAT480_ALERT_4_C Long H...A H-Bond Reported H36 .. O3 .. 2.65 Ang. PLAT480_ALERT_4_C Long H...A H-Bond Reported H42B .. O42 .. 2.61 Ang. PLAT601_ALERT_2_C Structure Contains Solvent Accessible VOIDS of . 32 A   3 PLAT910_ALERT_3_C Missing # of FCF Reflections Below Th(Min) ..... 1 PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L= 0.595 2 PLAT913_ALERT_3_C Missing # of Very Strong Reflections in FCF .... 1
Alert level G PLAT005_ALERT_5_G No _iucr_refine_instructions_details in the CIF ? PLAT199_ALERT_1_G Check the Reported _cell_measurement_temperature 293 K PLAT200_ALERT_1_G Check the Reported _diffrn_ambient_temperature 293 K PLAT793_ALERT_4_G The Model has Chirality at C2 (Verify) .... S PLAT793_ALERT_4_G The Model has Chirality at C3 (Verify) .... R PLAT793_ALERT_4_G The Model has Chirality at C4 (Verify) .... R PLAT793_ALERT_4_G The Model has Chirality at C5 (Verify) .... R PLAT909_ALERT_3_G Percentage of Observed Data at Theta(Max) still 72 Perc.
0 ALERT level A = Most likely a serious problem - resolve or explain 1 ALERT level B = A potentially serious problem, consider carefully 13 ALERT level C = Check. Ensure it is not caused by an omission or oversight 8 ALERT level G = General information/check it is not something unexpected 2 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 6 ALERT type 2 Indicator that the structure model may be wrong or deficient 5 ALERT type 3 Indicator that the structure quality may be low 8 ALERT type 4 Improvement, methodology, query or suggestion 1 ALERT type 5 Informative message, check

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