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Acta Cryst. (2014). E70, o83-o84  [ doi:10.1107/S1600536813033254 ]

1-(2,3-Di­hydroxy­prop­yl)-4-{2-[4-(di­methyl­amino)­phen­yl]vin­yl}pyridinium chloride

G. J. Gainsford, M. D. H. Bhuiyan and A. J. Kay


Key indicators

checkCIF/PLATON results

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Alert level B Crystal system given = monoclinic PLAT220_ALERT_2_B Large Non-Solvent C Ueq(max)/Ueq(min) ... 5.3 Ratio PLAT220_ALERT_2_B Large Non-Solvent C Ueq(max)/Ueq(min) ... 6.4 Ratio PLAT410_ALERT_2_B Short Intra H...H Contact H6' .. H5'B .. 1.84 Ang.
Alert level C PLAT222_ALERT_3_C Large Non-Solvent H Uiso(max)/Uiso(min) .. 5.5 Ratio PLAT222_ALERT_3_C Large Non-Solvent H Uiso(max)/Uiso(min) .. 5.7 Ratio PLAT340_ALERT_3_C Low Bond Precision on C-C Bonds ............... 0.0059 Ang. PLAT410_ALERT_2_C Short Intra H...H Contact H16' .. H0'B .. 1.96 Ang. PLAT414_ALERT_2_C Short Intra D-H..H-X H1O .. H7 .. 1.99 Ang. PLAT480_ALERT_4_C Long H...A H-Bond Reported H8A .. N2 .. 2.65 Ang. PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L= 0.600 3
Alert level G PLAT005_ALERT_5_G No _iucr_refine_instructions_details in the CIF Please Do ! PLAT230_ALERT_2_G Hirshfeld Test Diff for C1A' -- C16' .. 6.5 su PLAT301_ALERT_3_G Main Residue Disorder ............ Percentage = 30 Note PLAT720_ALERT_4_G Number of Unusual/Non-Standard Labels .......... 22 PLAT791_ALERT_4_G The Model has Chirality at C7 (Verify) R PLAT791_ALERT_4_G The Model has Chirality at C7' (Verify) R PLAT811_ALERT_5_G No ADDSYM Analysis: Too Many Excluded Atoms .... ! Info PLAT860_ALERT_3_G Number of Least-Squares Restraints ............. 13 Note PLAT910_ALERT_3_G Missing # of FCF Reflections Below Th(Min) ..... 3 Why ? PLAT912_ALERT_4_G Missing # of FCF Reflections Above STh/L= 0.600 6
0 ALERT level A = Most likely a serious problem - resolve or explain 3 ALERT level B = A potentially serious problem, consider carefully 7 ALERT level C = Check. Ensure it is not caused by an omission or oversight 10 ALERT level G = General information/check it is not something unexpected 0 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 7 ALERT type 3 Indicator that the structure quality may be low 5 ALERT type 4 Improvement, methodology, query or suggestion 2 ALERT type 5 Informative message, check

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