[Open access]

[Contents scheme]

Acta Cryst. (2013). E69, o1623-o1624
[ doi:10.1107/S1600536813027244 ]

1-Methyl-4-[(E)-2-(3-hy­droxy-4-meth­oxy­phen­yl)ethen­yl]pyridinium 4-bromo­benzene­sulfonate monohydrate

S. Chantrapromma, P. Ruanwas, B. Jindawong and H.-K. Fun


Key indicators

checkCIF/PLATON results

No syntax errors found




Alert level B PLAT431_ALERT_2_B Short Inter HL..A Contact Br1 .. O1 .. 3.03 Ang.
Alert level C PLAT242_ALERT_2_C Low Ueq as Compared to Neighbors for ..... S1 Check PLAT417_ALERT_2_C Short Inter D-H..H-D H1W1 .. H4A .. 2.12 Ang. PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L= 0.595 61 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 Please Do ! PLAT154_ALERT_1_G The su's on the Cell Angles are Equal .......... 0.00100 Deg. PLAT720_ALERT_4_G Number of Unusual/Non-Standard Labels .......... 2 PLAT909_ALERT_3_G Percentage of Observed Data at Theta(Max) still 79 % 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 1 ALERT level B = A potentially serious problem, consider carefully 4 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 1 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 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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