[Open access]

[Contents scheme]

Acta Cryst. (2013). E69, o178
[ doi:10.1107/S1600536812051008 ]

Benzyl N-[(Z)-(1-methyl-2-sulfanylpropylidene)amino]carbamodithioate

M. K. bin Break, S. Mehta, M. I. M. Tahir, K. A. Crouse and T.-J. Khoo

Key indicators

checkCIF/PLATON results

No syntax errors found

Alert level C PLAT029_ALERT_3_C _diffrn_measured_fraction_theta_full Low ....... 0.975 PLAT125_ALERT_4_C No '_symmetry_space_group_name_Hall' Given ..... ? PLAT213_ALERT_2_C Atom C16 has ADP max/min Ratio ..... 3.2 oblat PLAT230_ALERT_2_C Hirshfeld Test Diff for S15 -- C14 .. 5.1 su PLAT420_ALERT_2_C D-H Without Acceptor S15 - H151 ... ? PLAT480_ALERT_4_C Long H...A H-Bond Reported H151 .. S3 .. 2.96 Ang. PLAT481_ALERT_4_C Long D...A H-Bond Reported S15 .. S3 .. 4.19 Ang. PLAT715_ALERT_1_C D-H Unknown or Inconsistent Label .......... . PLAT776_ALERT_1_C Suspect D-H Dist in CIF: S15 -- H151 .. 1.38 Ang. PLAT910_ALERT_3_C Missing # of FCF Reflections Below Th(Min) ..... 1 PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L= 0.600 20 PLAT939_ALERT_3_C Large Value of Not (SHELXL) Weight Optimized S . 11.17
Alert level G PLAT005_ALERT_5_G No _iucr_refine_instructions_details in the CIF ? PLAT007_ALERT_5_G Note: Number of Unrefined D-H Atoms ............ 2 PLAT793_ALERT_4_G The Model has Chirality at C14 (Verify) .... R PLAT809_ALERT_1_G Can not Parse the SHELXL Weighting Scheme String ! PLAT912_ALERT_4_G Missing # of FCF Reflections Above STh/L= 0.600 53 PLAT929_ALERT_5_G No Weight Pars,Obs and Calc R1,wR2,S not checked ! PLAT960_ALERT_3_G Number of Intensities with I .LT. - 2*sig(I) ... 2
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 7 ALERT level G = General information/check it is not something unexpected 3 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 5 ALERT type 3 Indicator that the structure quality may be low 5 ALERT type 4 Improvement, methodology, query or suggestion 3 ALERT type 5 Informative message, check

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