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Acta Cryst. (2013). E69, o1608  [ doi:10.1107/S1600536813025889 ]

2-(4-Fluoro­phen­yl)-4-(thio­phen-2-yl)-2,3-di­hydro-1,5-benzothia­zepine

M. Manjula, B. C. Manjunath, N. Renuka, K. Ajay Kumar and N. K. Lokanath


Key indicators

checkCIF/PLATON results

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Alert level B Crystal system given = monoclinic PLAT019_ALERT_1_B Check _diffrn_measured_fraction_theta_full/_max 0.932
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 PLAT031_ALERT_4_C Refined Extinction Parameter within Range ...... 2.750 Sigma PLAT230_ALERT_2_C Hirshfeld Test Diff for C10 -- C11 .. 5.5 su PLAT340_ALERT_3_C Low Bond Precision on C-C Bonds ............... 0.0043 Ang. PLAT480_ALERT_4_C Long H...A H-Bond Reported H18 .. F1 .. 2.72 Ang. PLAT910_ALERT_3_C Missing # of FCF Reflections Below Th(Min) ..... 1 PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L= 0.586 63
Alert level G PLAT005_ALERT_5_G No _iucr_refine_instructions_details in the CIF ? Do ! PLAT199_ALERT_1_G Check the Reported _cell_measurement_temperature 293 K PLAT200_ALERT_1_G Check the Reported _diffrn_ambient_temperature 293 K PLAT793_ALERT_4_G The Model has Chirality at C3 (Verify) .... R PLAT909_ALERT_3_G Percentage of Observed Data at Theta(Max) still 53 %
0 ALERT level A = Most likely a serious problem - resolve or explain 1 ALERT level B = A potentially serious problem, consider carefully 7 ALERT level C = Check. Ensure it is not caused by an omission or oversight 5 ALERT level G = General information/check it is not something unexpected 3 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 5 ALERT type 3 Indicator that the structure quality may be low 3 ALERT type 4 Improvement, methodology, query or suggestion 1 ALERT type 5 Informative message, check

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