Acta Cryst. (2010). E66, o264  [ doi:10.1107/S1600536809055214 ]

5-Amino-7-(4-bromophenyl)-3,7-dihydro-2H-thieno[3,2-b]pyran-6-carbonitrile 1,1-dioxide

C.-X. Yu, X.-D. Feng, B. Jiang, C.-H. Wang and C.-S. Yao

Online 9 January 2010

Key indicators

• Single-crystal X-ray study
• T = 113 K
• Mean (C-C) = 0.003 Å
• R factor = 0.036
• wR factor = 0.088
• Data-to-parameter ratio = 17.4

checkCIF/PLATON results

No syntax errors found




Alert level C
PLAT371_ALERT_2_C Long   C(sp2)-C(sp1) Bond  C2     -   C15    ...       1.42 Ang. 
PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L=  0.600         18      
PLAT913_ALERT_3_C Missing # of Very Strong Reflections in FCF ....          3      
PLAT125_ALERT_4_C No _symmetry_space_group_name_Hall Given .......          ?
PLAT912_ALERT_4_C Missing # of FCF Reflections Above STh/L=  0.600          2      

Alert level G
PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #         47     
            C1  -C2  -C15 -N1   -156.00 15.00   1.555   1.555   1.555   1.555  
PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #         48     
            C3  -C2  -C15 -N1     21.00 15.00   1.555   1.555   1.555   1.555  
PLAT793_ALERT_4_G The Model has Chirality at C3      (Verify) ....          S      

   0 ALERT level A = In general: serious problem
   0 ALERT level B = Potentially serious problem
   5 ALERT level C = Check and explain
   3 ALERT level G = General alerts; check

   0 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
   2 ALERT type 3 Indicator that the structure quality may be low
   5 ALERT type 4 Improvement, methodology, query or suggestion
   0 ALERT type 5 Informative message, check

Copyright © International Union of Crystallography
IUCr Webmaster