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Acta Cryst. (2013). E69, o1357-o1358  [ doi:10.1107/S160053681302062X ]

Quinoline-2-sulfonamide

K. Marciniec, A. Maslankiewicz, J. Kusz and M. Nowak


Key indicators

checkCIF/PLATON results

No syntax errors found




Alert level C PLAT088_ALERT_3_C Poor Data / Parameter Ratio .................... 9.70 PLAT480_ALERT_4_C Long H...A H-Bond Reported H3 .. O2 .. 2.68 Ang. PLAT480_ALERT_4_C Long H...A H-Bond Reported H4 .. O2 .. 2.72 Ang. PLAT480_ALERT_4_C Long H...A H-Bond Reported H6 .. O1 .. 2.66 Ang. PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L= 0.596 11
Alert level G PLAT005_ALERT_5_G No _iucr_refine_instructions_details in the CIF ? Do ! PLAT720_ALERT_4_G Number of Unusual/Non-Standard Labels .......... 2 PLAT870_ALERT_4_G ALERTS Related to Twinning Effects Suppressed .. ! Info PLAT909_ALERT_3_G Percentage of Observed Data at Theta(Max) still 95 % PLAT931_ALERT_5_G Check Twin Law ( 0 0 1)[ ] Estimated BASF 0.06
0 ALERT level A = Most likely a serious problem - resolve or explain 0 ALERT level B = A potentially serious problem, consider carefully 5 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 0 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 0 ALERT type 2 Indicator that the structure model may be wrong or deficient 3 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
checkCIF publication errors
Alert level A PUBL023_ALERT_1_A There is a mismatched ^ on line 158 compound. The resulting interaction energy is \~4.4 kcal mol^-1 per bridge for If you require a ^ then it should be escaped with a \, i.e. \^ Otherwise there must be a matching closing ~, e.g. ^12^C PUBL023_ALERT_1_A There is a mismatched ^ on line 159 the <i>C</i>(4) chain and \~5.9 kcal mol^-1 per bridge for the If you require a ^ then it should be escaped with a \, i.e. \^ Otherwise there must be a matching closing ~, e.g. ^12^C
2 ALERT level A = Data missing that is essential or data in wrong format 0 ALERT level G = General alerts. Data that may be required is missing

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