(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2007). E63, o3940 [ doi:10.1107/S1600536807042274 ]

Benzylbutyldimethylammonium bromide

M. Hodorowicz

Key indicators

Single-crystal X-ray study
T = 293 K
Mean (C-C) = 0.003 Å
R factor = 0.038
wR factor = 0.077
Data-to-parameter ratio = 34.5

checkCIF/PLATON results

No syntax errors found




Alert level B
PLAT480_ALERT_4_B Long H...A H-Bond Reported H35    ..  BR1     ..       3.42 Ang. 
PLAT480_ALERT_4_B Long H...A H-Bond Reported H2A    ..  BR1     ..       3.43 Ang. 

Alert level C
PLAT480_ALERT_4_C Long H...A H-Bond Reported H33    ..  BR1     ..       3.02 Ang. 
PLAT480_ALERT_4_C Long H...A H-Bond Reported H36    ..  BR1     ..       3.13 Ang. 
PLAT480_ALERT_4_C Long H...A H-Bond Reported H2C    ..  BR1     ..       3.12 Ang. 
PLAT480_ALERT_4_C Long H...A H-Bond Reported H4B    ..  BR1     ..       3.04 Ang. 
PLAT480_ALERT_4_C Long H...A H-Bond Reported H4A    ..  BR1     ..       3.19 Ang. 
PLAT480_ALERT_4_C Long H...A H-Bond Reported H11B   ..  BR1     ..       3.14 Ang. 
PLAT480_ALERT_4_C Long H...A H-Bond Reported H1A    ..  BR1     ..       3.13 Ang. 
PLAT480_ALERT_4_C Long H...A H-Bond Reported H11A   ..  BR1     ..       3.26 Ang. 
PLAT481_ALERT_4_C Long D...A H-Bond Reported C11    ..  BR1     ..       4.10 Ang. 
PLAT481_ALERT_4_C Long D...A H-Bond Reported C11    ..  BR1     ..       4.22 Ang. 
PLAT481_ALERT_4_C Long D...A H-Bond Reported C35    ..  BR1     ..       4.12 Ang. 
PLAT481_ALERT_4_C Long D...A H-Bond Reported C2     ..  BR1     ..       4.24 Ang. 
PLAT481_ALERT_4_C Long D...A H-Bond Reported C12    ..  CG1     ..       4.11 Ang. 

Alert level G
PLAT199_ALERT_1_G Check the Reported _cell_measurement_temperature        293 K    
PLAT200_ALERT_1_G Check the Reported _diffrn_ambient_temperature .        293 K    

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

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