[Open access]

[Contents scheme]

Acta Cryst. (2012). E68, o3136
[ doi:10.1107/S1600536812042432 ]

7-[(3-Chloro-6-methyl-6,11-dihydrodibenzo[c,f][1,2]thiazepin-11-yl)amino]heptanoic acid S,S-dioxide hydrochloride

A. Mishnev, A. Zvirgzdins, A. Actins and M. Delina


Key indicators

checkCIF/PLATON results

No syntax errors found




Alert level A PLAT900_ALERT_1_A No Matching Reflection File Found .............. !
Alert level C PLAT094_ALERT_2_C Ratio of Maximum / Minimum Residual Density .... 2.22 PLAT480_ALERT_4_C Long H...A H-Bond Reported H3B .. S1 .. 2.98 Ang.
Alert level G PLAT005_ALERT_5_G No _iucr_refine_instructions_details in CIF .... ? PLAT007_ALERT_5_G Note: Number of Unrefined D-H Atoms ............ 3 PLAT180_ALERT_4_G Check Cell Rounding: # of Values Ending with 0 = 3 PLAT793_ALERT_4_G The Model has Chirality at C7 (Verify) .... R
1 ALERT level A = Most likely a serious problem - resolve or explain 0 ALERT level B = A potentially serious problem, consider carefully 2 ALERT level C = Check. Ensure it is not caused by an omission or oversight 4 ALERT level G = General information/check it is not something unexpected 1 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 0 ALERT type 3 Indicator that the structure quality may be low 3 ALERT type 4 Improvement, methodology, query or suggestion 2 ALERT type 5 Informative message, check

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