(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2003). E59, o435-o437 [ doi:10.1107/S1600536803004896 ]

N-(4-Ethoxyphenyl)-2-[(4-ethoxyphenylcarbamoyl)methoxy]acetamide monohydrate, a supramolecular chain structure formed by hydrogen bonds

X.-F. Li, W.-S. Liu and M.-Y. Tan

Online 14 March 2003

Key indicators

Single-crystal X-ray study
T = 294 K
Mean (C-C) = 0.004 Å
H-atom completeness 93%
R factor = 0.049
wR factor = 0.124
Data-to-parameter ratio = 13.6

checkCIF results

No syntax errors found

ADDSYM reports no extra symmetry

General Notes



FORMU_01  There is a discrepancy between the atom counts in the                 
          _chemical_formula_sum and the formula from the _atom_site* data.      
          Atom count from _chemical_formula_sum:C20 H26 N2 O6                   
          Atom count from the _atom_site data:  C20 H24 N2 O6                   

CELLZ_01                                                                        
         From the CIF: _cell_formula_units_Z    4                               
         From the CIF: _chemical_formula_sum  C20 H26 N2 O6                     
         TEST: Compare cell contents of formula and atom_site data              
                                                                                
         atom    Z*formula  cif sites diff                                      
         C         80.00     80.00    0.00                                      
         H        104.00     96.00    8.00                                      
         N          8.00      8.00    0.00                                      
         O         24.00     24.00    0.00                                      
          Difference between formula and atom_site contents detected.           
          WARNING: H atoms missing from atom site list. Is this intentional?