[Open access]

[Contents scheme]

Acta Cryst. (2012). E68, o3271
[ doi:10.1107/S1600536812044662 ]

4-Methoxy-4-methyl-6-phenyl-1,3-diazinane-2-thione

S. Samshuddin, B. Narayana, H. S. Yathirajan, T. Gerber, E. Hosten and R. Betz


Key indicators

checkCIF/PLATON results

No syntax errors found




Alert level C PLAT230_ALERT_2_C Hirshfeld Test Diff for S1 -- C2 .. 5.2 su
Author Response: scattering sites assigned correctly
PLAT230_ALERT_2_C Hirshfeld Test Diff for    C13    --  C14     ..        5.4 su   
Author Response: scattering sites assigned correctly
PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L=  0.600          8      
PLAT913_ALERT_3_C Missing # of Very Strong Reflections in FCF ....          3      

Alert level G PLAT005_ALERT_5_G No _iucr_refine_instructions_details in CIF ... ? PLAT793_ALERT_4_G The Model has Chirality at C1 (Verify) .... R
Author Response: correct chirality was assigned based on the ORTEP plot
PLAT793_ALERT_4_G The Model has Chirality at C3      (Verify) ....          S      
Author Response: correct chirality was assigned based on the ORTEP plot

0 ALERT level A = Most likely a serious problem - resolve or explain 0 ALERT level B = A potentially serious problem, consider carefully 4 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 2 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: Samshuddin, Narayana, Yathirajan - synthesis, research and project settled around compound; Eric Hosten - mounting and selecting of crystals which was very time-consuming due to quality of sample; Thomas Gerber - initiator of this cooperation and supervisor of Xray facility; Richard Betz - structure solution and refinement as well as write up of this manuscript

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

Copyright © International Union of Crystallography
IUCr Webmaster