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Acta Cryst. (2013). E69, o1191  [ doi:10.1107/S1600536813016024 ]

4-Chlorobutyl 7-chloro-1-cyclopropyl-4-(1,3-diethyl-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)-6-fluoro-1,4-dihydroquinoline-3-carboxylate

K. Sweidan, S. F. Haddad, M. A. AlDamen and A. Al-Sheikhb


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Alert level C PLAT220_ALERT_2_C Large Non-Solvent C Ueq(max)/Ueq(min) ... 3.8 Ratio PLAT234_ALERT_4_C Large Hirshfeld Difference C23 -- C24 .. 0.16 Ang. PLAT241_ALERT_2_C Check High Ueq as Compared to Neighbors for C23 PLAT241_ALERT_2_C Check High Ueq as Compared to Neighbors for C25 PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for C24 PLAT340_ALERT_3_C Low Bond Precision on C-C Bonds ............... 0.0074 Ang. PLAT360_ALERT_2_C Short C(sp3)-C(sp3) Bond C22 - C23 ... 1.40 Ang. PLAT906_ALERT_3_C Large K value in the Analysis of Variance ...... 16.877 PLAT906_ALERT_3_C Large K value in the Analysis of Variance ...... 3.502 PLAT910_ALERT_3_C Missing # of FCF Reflections Below Th(Min) ..... 6 PLAT922_ALERT_1_C wR2 in the CIF and FCF Differ by ............... -0.0013 PLAT927_ALERT_1_C Reported and Calculated wR2 Differ by ......... -0.0014
Alert level G PLAT005_ALERT_5_G No _iucr_refine_instructions_details in the CIF ? Do ! PLAT072_ALERT_2_G SHELXL First Parameter in WGHT Unusually Large. 0.10 PLAT083_ALERT_2_G SHELXL Second Parameter in WGHT Unusually Large. 5.56 PLAT199_ALERT_1_G Check the Reported _cell_measurement_temperature 293 K PLAT200_ALERT_1_G Check the Reported _diffrn_ambient_temperature 293 K
0 ALERT level A = Most likely a serious problem - resolve or explain 0 ALERT level B = A potentially serious problem, consider carefully 12 ALERT level C = Check. Ensure it is not caused by an omission or oversight 5 ALERT level G = General information/check it is not something unexpected 4 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 7 ALERT type 2 Indicator that the structure model may be wrong or deficient 4 ALERT type 3 Indicator that the structure quality may be low 1 ALERT type 4 Improvement, methodology, query or suggestion 1 ALERT type 5 Informative message, check

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