[Open access]

[Contents scheme]

Acta Cryst. (2012). E68, o2608
[ doi:10.1107/S1600536812033533 ]

9-(Thiophen-2-yl)-8,9-dihydro-3H-pyrazolo[4,3-f]quinolin-7(6H)-one ethanol monosolvate

J. Peng and R. Jia

Key indicators

checkCIF/PLATON results

No syntax errors found

Alert level C PLAT230_ALERT_2_C Hirshfeld Test Diff for S1 -- C14 .. 5.2 su PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for C11 PLAT340_ALERT_3_C Low Bond Precision on C-C Bonds ............... 0.0048 Ang PLAT366_ALERT_2_C Short? C(sp?)-C(sp?) Bond C13 - C14 ... 1.34 Ang. PLAT905_ALERT_3_C Negative K value in the Analysis of Variance ... -12.284 PLAT905_ALERT_3_C Negative K value in the Analysis of Variance ... -0.622 PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L= 0.595 27
Alert level G PLAT005_ALERT_5_G No _iucr_refine_instructions_details in CIF .... ? PLAT007_ALERT_5_G Note: Number of Unrefined D-H Atoms ............ 4 PLAT301_ALERT_3_G Note: Main Residue Disorder ................... 11 Perc. PLAT302_ALERT_4_G Note: Anion/Solvent Disorder ................... 100 Perc. PLAT793_ALERT_4_G The Model has Chirality at C8 (Verify) .... S PLAT811_ALERT_5_G No ADDSYM Analysis: Too Many Excluded Atoms .... !
0 ALERT level A = Most likely a serious problem - resolve or explain 0 ALERT level B = A potentially serious problem, consider carefully 7 ALERT level C = Check. Ensure it is not caused by an omission or oversight 7 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 5 ALERT type 3 Indicator that the structure quality may be low 2 ALERT type 4 Improvement, methodology, query or suggestion 3 ALERT type 5 Informative message, check
checkCIF publication errors
Alert level A PUBL022_ALERT_1_A There is a mismatched ~ on line 108 between the pyridine N---C~fused~---C~fused---C(thiophene) plane and the If you require a ~ then it should be escaped with a \, i.e. \~ Otherwise there must be a matching closing ~, e.g. C~2~H~4~
1 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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