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[Contents scheme]

Acta Cryst. (2013). E69, o1717-o1718
[ doi:10.1107/S1600536813029103 ]

4-Meth­oxy-N-(pyridin-4-ylmeth­yl)-3-(tri­fluoro­meth­yl)benzamide monohydrate

S. Sreenivasa, N. R. Mohan, V. Kumar, B. S. Palakshamurthy, D. B. Arunakumar and P. A. Suchetan


Key indicators

checkCIF/PLATON results

No syntax errors found




Alert level B PLAT021_ALERT_4_B Ratio Unique / Expected Reflections too High ... 4.432 PLAT230_ALERT_2_B Hirshfeld Test Diff for C2 -- C7 .. 7.4 su
Alert level C PLAT213_ALERT_2_C Atom F3 has ADP max/min Ratio ..... 3.1 prolat PLAT230_ALERT_2_C Hirshfeld Test Diff for N2 -- C14 .. 5.3 su PLAT230_ALERT_2_C Hirshfeld Test Diff for C4 -- C5 .. 6.1 su PLAT230_ALERT_2_C Hirshfeld Test Diff for C12 -- C13 .. 5.2 su PLAT230_ALERT_2_C Hirshfeld Test Diff for C14 -- C15 .. 5.9 su PLAT790_ALERT_4_C Centre of Gravity not Within Unit Cell: Resd. # 1 C15 H13 F3 N2 O2 PLAT906_ALERT_3_C Large K value in the Analysis of Variance ...... 2.232 Check PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L= 0.595 14 PLAT913_ALERT_3_C Missing # of Very Strong Reflections in FCF .... 9
Alert level G PLAT005_ALERT_5_G No _iucr_refine_instructions_details in the CIF Please Do ! PLAT007_ALERT_5_G Number of Unrefined Donor-H Atoms .............. 3 Why ? PLAT154_ALERT_1_G The su's on the Cell Angles are Equal .......... 0.01000 Deg. PLAT242_ALERT_2_G Low Ueq as Compared to Neighbors for ..... C7 Check PLAT720_ALERT_4_G Number of Unusual/Non-Standard Labels .......... 1 PLAT790_ALERT_4_G Centre of Gravity not Within Unit Cell: Resd. # 2 H2 O PLAT909_ALERT_3_G Percentage of Observed Data at Theta(Max) still 45 %
0 ALERT level A = Most likely a serious problem - resolve or explain 2 ALERT level B = A potentially serious problem, consider carefully 9 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 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 4 ALERT type 4 Improvement, methodology, query or suggestion 2 ALERT type 5 Informative message, check
checkCIF publication errors
Alert level A PUBL024_ALERT_1_A The number of authors is greater than 5. Please specify the role of each of the co-authors for your paper.
Author Response: SS and NRM synthesized and characterized the compound. VK and DBA collected the crystal data. PAS and BSP solved and analyzed the data.

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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