(IUCr) Crystallography Journals Online checkcif report

Acta Cryst. (2005). E61, o1310-o1312 [ doi:10.1107/S1600536805010299 ]

Carbamazepine-2,2,2-trifluoroethanol (1/1)

S. Lohani, Y. Zhang, L. J. Chyall, P. Mougin-Andres, F. X. Muller and D. J. W. Grant

Online 16 April 2005

Key indicators

Single-crystal X-ray study
T = 173 K
Mean (C-C) = 0.003 Å
R factor = 0.046
wR factor = 0.140
Data-to-parameter ratio = 13.0

checkCIF/PLATON results

No syntax errors found




Alert level C
PLAT244_ALERT_4_C Low   'Solvent' Ueq as Compared to Neighbors for       C16A     
PLAT244_ALERT_4_C Low   'Solvent' Ueq as Compared to Neighbors for       C16B     
PLAT420_ALERT_2_C D-H Without Acceptor       N2A    -   H2AD   ...          ?       
PLAT480_ALERT_4_C Long H...A H-Bond Reported H2AD   ..  F2A     ..       2.65 Ang.  
PLAT720_ALERT_4_C Number of Unusual/Non-Standard Label(s) ........         18       
PLAT790_ALERT_4_C Centre of Gravity not Within Unit Cell: Resd.  #          4       
              C2 H3 F3 O                                                        

   0 ALERT level A = In general: serious problem
   0 ALERT level B = Potentially serious problem
   6 ALERT level C = Check and explain
   0 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
   0 ALERT type 3 Indicator that the structure quality may be low
   5 ALERT type 4 Improvement, methodology, query or suggestion