(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2004). E60, o857-o859 [ doi:10.1107/S1600536804009134 ]

A 1:1 molecular complex of 4-aminocyclohexanol and (4-hydroxycyclohexyl)carbamic acid

A. Dey, G. R. Desiraju, R. Mondal and J. A. K. Howard

Online 24 April 2004

Key indicators

Single-crystal X-ray study
T = 120 K
Mean (C-C) = 0.002 Å
R factor = 0.037
wR factor = 0.102
Data-to-parameter ratio = 12.0

checkCIF/PLATON results

No syntax errors found



Alert level A
PLAT737_ALERT_1_A D...A   Calc  2.7589(14), Rep 2.75900(10) ......       9.90 su-Rat
              N1'  -O3      1.555   3.566                                       
PLAT737_ALERT_1_A D...A   Calc  2.7869(14), Rep 2.78700(10) ......       9.90 su-Rat
              N1'  -O2      1.555   3.666                                       

Alert level C
PLAT250_ALERT_2_C Large U3/U1 Ratio for Average U(i,j) Tensor ....       2.52       
PLAT420_ALERT_2_C D-H Without Acceptor       N1     -   H115   ...          ?       

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

   2 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
   2 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
   0 ALERT type 4 Improvement, methodology, query or suggestion