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[Contents scheme]

Acta Cryst. (2013). E69, o543
[ doi:10.1107/S1600536813006922 ]

4-[5-(4-Benzoyloxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl benzoate

B. C. Manjunath, S. Madan Kumar, K. S. Vinay Kumar, M. Prabhuswamy, M. P. Sadashiva and N. K. Lokanath


Key indicators

checkCIF/PLATON results

No syntax errors found




Alert level B PLAT230_ALERT_2_B Hirshfeld Test Diff for O1 -- N1 .. 18.7 su
Author Response: This appeared due to thermal vibration of O1, O2, C9, N1 and C1 atoms.
PLAT230_ALERT_2_B Hirshfeld Test Diff for    N2     --  C1      ..        8.0 su   
Author Response: This appeared due to thermal vibration of O1, O2, C9, N1 and C1 atoms.
PLAT230_ALERT_2_B Hirshfeld Test Diff for    C9     --  C10     ..       13.7 su   
Author Response: This appeared due to thermal vibration of O1, O2, C9, N1 and C1 atoms.
PLAT241_ALERT_2_B Check High      Ueq as Compared to Neighbors for         O1     

Alert level C PLAT230_ALERT_2_C Hirshfeld Test Diff for O1 -- C1 .. 7.0 su
Author Response: This appeared due to thermal vibration of O1, O2, C9, N1 and C1 atoms.
PLAT230_ALERT_2_C Hirshfeld Test Diff for    O2     --  C6      ..        6.3 su   
Author Response: This appeared due to thermal vibration of O1, O2, C9, N1 and C1 atoms.
PLAT230_ALERT_2_C Hirshfeld Test Diff for    N1     --  C2      ..        5.5 su   
Author Response: This appeared due to thermal vibration of O1, O2, C9, N1 and C1 atoms.
PLAT241_ALERT_2_C Check High      Ueq as Compared to Neighbors for        C12     
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for        C10     
PLAT331_ALERT_2_C Small Average Phenyl   C-C Dist. C10    -C15           1.37 Ang. 
PLAT340_ALERT_3_C Low Bond Precision on  C-C Bonds ...............     0.0053 Ang  
PLAT717_ALERT_1_C D...A   Unknown or Inconsistent Label ..........    <I>CG</     
PLAT906_ALERT_3_C Large K value in the Analysis of Variance ......     26.329      
PLAT906_ALERT_3_C Large K value in the Analysis of Variance ......      4.588      
PLAT906_ALERT_3_C Large K value in the Analysis of Variance ......      2.121      
PLAT910_ALERT_3_C Missing # of FCF Reflections Below Th(Min) .....          1      
PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L=  0.600          4      

Alert level G PLAT005_ALERT_5_G No _iucr_refine_instructions_details in the CIF ?
0 ALERT level A = Most likely a serious problem - resolve or explain 4 ALERT level B = A potentially serious problem, consider carefully 13 ALERT level C = Check. Ensure it is not caused by an omission or oversight 1 ALERT level G = General information/check it is not something unexpected 1 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 10 ALERT type 2 Indicator that the structure model may be wrong or deficient 6 ALERT type 3 Indicator that the structure quality may be low 0 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: ... All the authors have equal contributions to this work BCM -- Analyzed the structure and final write-up MKS -- Solved and refined the structure VKS -- Performed Synthesis MPS -- Performed crystallisation and NMR analysis MP -- Data collection and processing NKL -- Guide and Corresponding author

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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