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[Contents scheme]

Acta Cryst. (2012). E68, o3387-o3388
[ doi:10.1107/S1600536812046417 ]

Ethyl 4-({1-[2-(4-bromophenyl)-2-oxoethyl]-1H-1,2,3-triazol-4-yl}methoxy)-8-(trifluoromethyl)quinoline-3-carboxylate

A. M. Islor, B. Garudachari, K. N. Shivananda, T. Gerber, E. Hosten and R. Betz


Key indicators

checkCIF/PLATON results

No syntax errors found




Alert level C PLAT241_ALERT_2_C Check High Ueq as Compared to Neighbors for N3
Author Response: situation checked - synthetic protocol and analytical results are in agreement with assignment of scattering sites
PLAT241_ALERT_2_C Check High      Ueq as Compared to Neighbors for        C25     
Author Response: situation checked - synthetic protocol and analytical results are in agreement with assignment of scattering sites
PLAT241_ALERT_2_C Check High      Ueq as Compared to Neighbors for        C26     
Author Response: situation checked - synthetic protocol and analytical results are in agreement with assignment of scattering sites
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for        C10     
Author Response: situation checked - synthetic protocol and analytical results are in agreement with assignment of scattering sites
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for        C21     
Author Response: situation checked - synthetic protocol and analytical results are in agreement with assignment of scattering sites
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for        C24     
Author Response: situation checked - synthetic protocol and analytical results are in agreement with assignment of scattering sites
PLAT334_ALERT_2_C Small Average Benzene  C-C Dist. C21    -C26           1.37 Ang. 
Author Response: larger thermal motion as becomes apparent in slightly elongated thermal ellipsoids as hinted on by C level lerts PLAT241 and PLAT242 can be considered as the reason for this alert
PLAT480_ALERT_4_C Long H...A H-Bond Reported H3     ..  N3      ..       2.65 Ang. 
Author Response: contact is discussed in manuscript
PLAT905_ALERT_3_C Negative K value in the Analysis of Variance ...     -0.818      
PLAT910_ALERT_3_C Missing # of FCF Reflections Below Th(Min) .....          4      
PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L=  0.600          3      
PLAT913_ALERT_3_C Missing # of Very Strong Reflections in FCF ....          1      

Alert level G PLAT005_ALERT_5_G No _iucr_refine_instructions_details in the CIF ? PLAT912_ALERT_4_G Missing # of FCF Reflections Above STh/L= 0.600 18
0 ALERT level A = Most likely a serious problem - resolve or explain 0 ALERT level B = A potentially serious problem, consider carefully 12 ALERT level C = Check. Ensure it is not caused by an omission or oversight 2 ALERT level G = General information/check it is not something unexpected 0 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 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: Islor, Garudachari, Shivananda - 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

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