[Open access]

[Contents scheme]

Acta Cryst. (2013). E69, o1521
[ doi:10.1107/S1600536813024550 ]

6-Chloro-3-[(dimethylamino)methylidene]thiochroman-4-one

A. Y. Khan, N. Fathima, M. B. Kalashetti, N. S. Begum and I. M. Khazi


Key indicators

checkCIF/PLATON results

No syntax errors found




Alert level C PLAT340_ALERT_3_C Low Bond Precision on C-C Bonds ............... 0.0042 Ang. PLAT480_ALERT_4_C Long H...A H-Bond Reported H11D .. O1B .. 2.63 Ang. PLAT790_ALERT_4_C Centre of Gravity not Within Unit Cell: Resd. # 1 C12 H12 Cl N O S PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L= 0.600 14 PLAT915_ALERT_3_C Low Friedel Pair Coverage ...................... 85 % PLAT922_ALERT_1_C wR2 in the CIF and FCF Differ by ............... -0.0017 PLAT923_ALERT_1_C S values in the CIF and FCF Differ by ....... -0.020
Alert level G PLAT005_ALERT_5_G No _iucr_refine_instructions_details in the CIF ? Do ! PLAT033_ALERT_4_G Flack x Value Deviates > 2*sigma from Zero ..... 0.200 PLAT720_ALERT_4_G Number of Unusual/Non-Standard Labels .......... 6 PLAT790_ALERT_4_G Centre of Gravity not Within Unit Cell: Resd. # 2 C12 H12 Cl N O S PLAT790_ALERT_4_G Centre of Gravity not Within Unit Cell: Resd. # 3 C12 H12 Cl N O S PLAT912_ALERT_4_G Missing # of FCF Reflections Above STh/L= 0.600 13
0 ALERT level A = Most likely a serious problem - resolve or explain 0 ALERT level B = A potentially serious problem, consider carefully 7 ALERT level C = Check. Ensure it is not caused by an omission or oversight 6 ALERT level G = General information/check it is not something unexpected 2 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 0 ALERT type 2 Indicator that the structure model may be wrong or deficient 3 ALERT type 3 Indicator that the structure quality may be low 7 ALERT type 4 Improvement, methodology, query or suggestion 1 ALERT type 5 Informative message, check

Copyright © International Union of Crystallography
IUCr Webmaster