zko a decomposition of approximately 707; of the cellulose used. Fermentation products are rolaj PA\ L .i; tile acids, non-volatile acids, and alcohol in medium Cellulose in medirini rrrmentcd 5c cellulo~c of pH 7.4. (b) The fermentation in medium nf F*pt i: /I50 CI dt~compowd pH t i by the same bacteria sliowed a decomposi1 1 32 fL?,
+
Dickinson and C . Rilicke. T H r s J O U R N A I . , 60, 7G4 f 19281.
(a) J,. IC. Sutton and I,. 0. Rrockway, ibid., 67, 4i.3 (1935). ( 6 ) I,. Pauling and I,. 0. Brockw.ay. ibid., 69, 1223 (1937). ( 5 ) D. C. Carpenter and I, 0. Brockway, ibid.. 58, 1270 1103R) (8) R . W. G. Wyckoff, Z . K r i s l , 81, 102 (19321.
( 9 ) (a) R. W. C . Wyckoff, ibid , 75, 529 (1930); (hi R . W .Cy. IVyckoff and R B Corey. i b i d . , BB, 462 (1934).
could be assigned to the oxygeii atom which would bring agreemelit betweeii observed and calculated intensities. This model therefore had to be abandoned. A completely coplanar molecule was next assumed, with interatomic distances the same as iit the preceding one except that the distance betweeii the keto carbon and the nitrogen atom was short eiied to 1.X2 A. 'The bond angles were taken to be G K - C , 110"; S-C--CHp, 125'; C-CH2--h, 123@ and N-C-0, 117'. This inolecule was rotated about the center of symmetry with all atoms in the (101) plane. Excellent agreement for all sixty (hkO) reflections was obtained wheii a line joining the osygeii atoms made an aiigle of 33" with the XZ-plaiie, correspondiug to the parameters. 0
= 0.1,-1,
.I
J
= 0,;ji
C ; x = 0.32, .Y = ll,1:i CH? : .U = 0.546, = Il.:j7 NH : .Y = (1.29, y = 0.,545
Illspection of the structure factors showed that chatlie was to be expected ill the signs (except in the case of "absent" reflections) without major alterations in atomic positions. -1 two-dimensional Fourier analysis of the distribution of scattering power iti the crystal unit projected on the (001) plane was made according to the equation iio
p(.t,y) =
+ ky)
constant Y,,:!.
I;jhiii) COS 2 ~ ( h . i ,
using the observed F's for all planes with sigiis obtained from the structure factors as listed i i i Table I . The plot of p ( s , y ) over half of the unit cell is shown i n Fig. I . 'I'he positions of the peaks as show11 by contour lilies indicate small but definite changes in the positioiis of all atoms csccpt carboil. 'Thc correspoudiug paramcters Ihcii bccomc : s = O,IMJ, >' = l l 3 i ~ = 0,320, ?' = l),4:jo CH, : .Y = (1.345, y = I).:Cj(! NH : .Y = fl280, j' = fi.54.4.
0
c
; .U
I n Table I structure factors calculated from these parameters are compared with those obtained from the estimated inteiisities. I .
lAlil,lJ,
INTENSITIES
AND
$TRVCTURF;
I P A C I O K S FOR
{ h i . ! ) ) RIG
FLECI'IOKS
0 I)%I.
OlIb
;I:
.So to (101) Interatomic distances within the molecule are C-0, 1.25 A ; C-K, 1.33 -k ; C - C , 1 4'7 .I. and ;N CH:, 1.11 A , all accurate to al,out * 0.CI:i A. - -
-,I-.
,
\,
I
I
F
B (-.c' \-*
-
__ - -- --
-
,-.,
-. .
..,
:-.;
--
',ti
,
,*.
