[Open access]

[Contents scheme]

Acta Cryst. (2013). E69, o1763
[ doi:10.1107/S1600536813030547 ]

5-[(1-Benzyl-1H-1,2,3-triazol-4-yl)meth­yl]-5H-dibenzo[b,f]azepine

B. C. Manjunath, K. S. V. Kumar, S. M. Kumar, 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 C22 -- C23 .. 14.5 su
Alert level C THETM01_ALERT_3_C The value of sine(theta_max)/wavelength is less than 0.590 Calculated sin(theta_max)/wavelength = 0.5863 PLAT029_ALERT_3_C _diffrn_measured_fraction_theta_full Low ....... 0.975 PLAT230_ALERT_2_C Hirshfeld Test Diff for C23 -- C24 .. 6.5 su PLAT242_ALERT_2_C Low Ueq as Compared to Neighbors for ..... C19 Check PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L= 0.586 81
Alert level G PLAT005_ALERT_5_G No _iucr_refine_instructions_details in the CIF Please Do ! PLAT909_ALERT_3_G Percentage of Observed Data at Theta(Max) still 70 %
0 ALERT level A = Most likely a serious problem - resolve or explain 1 ALERT level B = A potentially serious problem, consider carefully 5 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 3 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 0 ALERT type 4 Improvement, methodology, query or suggestion 1 ALERT type 5 Informative message, check

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