[Open access]

[Contents scheme]

Acta Cryst. (2012). E68, o2641
[ doi:10.1107/S1600536812034046 ]

1-[4-(4-Isopropylphenyl)-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidin-5-yl]ethanone

N. Anuradha, A. Thiruvalluvar, S. Chitra, D. Devanathan, O. O. Falola and R. J. Butcher


Key indicators

checkCIF/PLATON results

No syntax errors found




Alert level C PLAT220_ALERT_2_C Large Non-Solvent C Ueq(max)/Ueq(min) ... 3.7 Ratio PLAT222_ALERT_3_C Large Non-Solvent H Uiso(max)/Uiso(min) .. 4.3 Ratio PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L= 0.600 6
Alert level G PLAT005_ALERT_5_G No _iucr_refine_instructions_details in CIF .... ? PLAT793_ALERT_4_G The Model has Chirality at C4 (Verify) .... S PLAT912_ALERT_4_G Missing # of FCF Reflections Above STh/L= 0.600 80
0 ALERT level A = Most likely a serious problem - resolve or explain 0 ALERT level B = A potentially serious problem, consider carefully 3 ALERT level C = Check. Ensure it is not caused by an omission or oversight 3 ALERT level G = General information/check it is not something unexpected 0 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 1 ALERT type 2 Indicator that the structure model may be wrong or deficient 2 ALERT type 3 Indicator that the structure quality may be low 2 ALERT type 4 Improvement, methodology, query or suggestion 1 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: The role of the authors is as follows: S. Chitra and D. Devanathan synthesized the title compound. Oluwaseun O. Falola and R.J. Butcher were involved in collecting the X-ray data, solving, and refining the structure. N. Anuradha and A. Thiruvalluvar were involved in writing the paper.

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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