852 CELLULOSE ORGANIC SOLVENTS. II
Table 5. Hydrogen bonding in MMNO. 2.5H20
i j k
W(1)-H(W 11)... 0(8)
W(1)-H(W12).. W(3)'
W(2)-H(W21).. W(1)
W(Z)-H(WZ2).. W(3)
W(3)-H(W31).. W(4)
W(3)-H(W32).. W(2)"
W(4)-H(W41).. W(5)
W(4)-H(W42).. 0(8)
W(5)-H(W51)... 0(8') m
W(5)-H(W52)...0(8')
Dtg (A) Djk (A) Ou k (o)
2.718 (6) 1.98 (5) 171 (5)
2.810 (6) 1.90 (5) 170 (5)
2.739 (6) 2.08 (5) 169 (5)
2.767 (6) 1.73 (5) 164 (5)
2.669 (6) 2.02 (5) 161 (5)
2.778 (6) 1.85 (5) 148 (5)
2.673 (6) 1.92 (5) 148 (5)
2.661 (6) 1.82 (5) 172 (5)
2.707 (6) 1.88 (5) 159 (5)
2.722 (6) 1.95 (5) 157 (5)
Symmetry code: None x~v,z; (i) x, 1 + y, z; (ii) I - x, -½ + y, t - z;
(iii) -x, --~ + y, ½ - z.
that when the molecular ratio of water bonded to
MMNO is less than 2, such a bonding scheme is quite
feasible. On the other hand, a molecular ratio equal to
or greater than 2 would be sufficient to saturate the
hydrogen-bond possibilities of the N-O linkage to
cellulose and would hamper any solvent character.
Indeed such a scheme is achieved in the present
structure.
The authors thank Dr A. P6guy for growing the
single crystals studied, and Professor D. Gagnaire and
Dr H. Chanzy for their continuous interest in this
work. The data collection was performed within the
'Groupe Grenoblois de Diffractom6trie'.
References
CHANZY, H., MAIA, E. & P~REZ, S. (1982). Acta Cryst. B38,
852-855.
CHANZY, H., P/~GUY,A., CHAUNIS, S. & MONZm, P. (1980).
J. Polym. Sci. Polym. Phys. Ed. 18, 1137-1144.
CROMER, D. T. & WABER, J. T. (1965). Acta Cryst. 18,
104-109.
DHEU, M. L. & P~REZ, S. (1980). PITMOS. Programmes
Interactifs de Tracds de Moldcules et de Structures,
CERMAV, CNRS, Grenoble, France.
FRANKS, N. E. & VARGA,J. K. (1979). Brevet Franqais 242
355.
JOHNSON, D. L. (1969). British Patent 1 144 048. US Patent
3 508 941.
MAIA, E., PI~GUY, A. & PI~REZ, S. (1981). Acta Cryst. B37,
1858-1862.
MAIN, P., LESSINGER, L., WOOLFSON, M. M., GERMAIN, G.
& DECLERCQ, J. P. (1977). MULTAN 77. A System of
Computer Programs for the Automatic Solution of Crystal
Structures from X-ray Diffraction Data. Univs. of York,
England, and Louvain, Belgium.
STEWART, R. F., DAVIDSON, E. R. & SIMPSON, W. T. (1965).
d. Chem. Phys. 42, 3175-3187.
Acta Cryst. (1982). B38, 852-855
Cellulose Organic Solvents.
III. The Structure of the N-Methylmorpholine N-Oxide---trans-1,2-Cyelohexanediol
Complex
BY H. CHANZY
Centre de Recherches sur les MacromoMcules Vdgdtales (CNRS),* 53X, 38041 Grenoble CEDEX, France
E. MAIA
Laboratoires de Chimie, Groupe Macromoldcules Vdgdtales, Ddpartement de Recherche Fondamentale,
Centre d'Etudes Nucldaires, 85X, 38041 Grenoble CEDEX, France
AND S. P~REZt
Centre de Recherches sur les Macromoldcules Vdgdtales (CNRS),* 53X. 38041 Grenoble CEDEX, France
(Received 17 February 1981; accepted 21 September 1981)
Abstract
C5HllNO2.C6H1202, Mr = 233.33, is monoclinic,
P2~/c, with a = 6.137 (3), b = 10.153 (4), c =
21.O15 (6)A, fl= 94.a3 (lO)°,Z=4, do= 1.19, dc =
1.19 Mg m -s and R = 0.042 for 1019 reflexions. The
* Laboratoire Propre du CNRS, associ~ fi i'Universit6 Scientifi-
que et M6dicale de Grenoble.
t To whom correspondence should be addressed.
0567-7408/82/030852-04501.00
morpholine ring takes the chair form with N-O axial.
In the trans-l,2-cyclohexanediol molecule, a distinct
shrinkage of the bond between the two oxygen-bearing
C atoms is observed [ 1.473 (5) A]. The molecule is in a
chair conformation with both hydroxylic O atoms
equatorial. The N-O structuring site links, through
hydrogen bonds, contiguous trans-1,2-cyclohexanediol
molecules oriented along the a axis. The nature and the
geometry of the intermolecular interactions in this
© 1982 International Union of Crystallography