[Open access]

[Contents scheme]

Acta Cryst. (2013). E69, o417-o418
[ doi:10.1107/S1600536813004522 ]

2-Amino-7,7-dimethyl-5-oxo-4-[3-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile

R. Kant, V. K. Gupta, K. Kapoor, D. R. Patil, D. R. Chandam and M. B. Deshmukh


Key indicators

checkCIF/PLATON results

No syntax errors found




Alert level C PLAT230_ALERT_2_C Hirshfeld Test Diff for C3 -- C19 .. 5.8 su PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for C15 PLAT906_ALERT_3_C Large K value in the Analysis of Variance ...... 11.838 PLAT906_ALERT_3_C Large K value in the Analysis of Variance ...... 2.563 PLAT910_ALERT_3_C Missing # of FCF Reflections Below Th(Min) ..... 8
Alert level G PLAT002_ALERT_2_G Number of Distance or Angle Restraints on AtSite 10 PLAT005_ALERT_5_G No _iucr_refine_instructions_details in the CIF ? PLAT007_ALERT_5_G Note: Number of Unrefined D-H Atoms ............ 2 PLAT083_ALERT_2_G SHELXL Second Parameter in WGHT Unusually Large. 5.16 PLAT199_ALERT_1_G Check the Reported _cell_measurement_temperature 293 K PLAT200_ALERT_1_G Check the Reported _diffrn_ambient_temperature 293 K PLAT301_ALERT_3_G Note: Main Residue Disorder ................... 12 Perc. PLAT793_ALERT_4_G The Model has Chirality at C4 (Verify) .... S PLAT811_ALERT_5_G No ADDSYM Analysis: Too Many Excluded Atoms .... ! PLAT860_ALERT_3_G Note: Number of Least-Squares Restraints ....... 10
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 10 ALERT level G = General information/check it is not something unexpected 2 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 4 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 1 ALERT type 4 Improvement, methodology, query or suggestion 3 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: As the reported work is a part of collaboration between two Universities. Hence the number of authors are greater than 5. Synthesis has been carried out by D.R. Patil, D.R. Chandam , M.B. Deshmukh while Kamini Kapoor, Vivek K.Gupta and Rajnikant are responsible for the single crystal growth, X-ray data collection,refinement of the structure, structure completion in the form of paper and for bearing the financial load fo the publication.

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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