|
Ylid |
| |
Christensen A T, Thom E |
 |
Acta Crystallographica B27 (1971) 581-586 |
|
The crystal structure of 2-dimenthylsulfuranylidene-1,3-indanedione |
|
_database_code_amcsd 0009387 |
|
18.331 9.012 5.949 90 90 90 P2_12_12_1 |
|
atom x y z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
C1 .10008 -.05523 .18330 .00230 .00917 .02048 -.00018 -.00039 -.00088 |
|
C2 .07783 -.12614 .38522 .00204 .00901 .02091 .00034 .00068 .00014 |
|
C3 .12478 -.24872 .43920 .00209 .00803 .02521 -.00010 -.00009 -.00069 |
|
C4 .18203 -.24824 .26019 .00206 .00797 .02790 -.00025 .00043 -.00144 |
|
C5 .24261 -.33758 .23448 .00226 .01006 .03927 .00027 .00100 -.00065 |
|
C6 .28770 -.31158 .05134 .00245 .01209 .04930 -.00013 .00321 -.00578 |
|
C7 .27250 -.20004 .89875 .00294 .01357 .03581 -.00063 .00394 -.00410 |
|
C8 .21165 -.10923 .92521 .00282 .01231 .02557 -.00034 .00194 -.00153 |
|
C9 .16740 -.13548 .10749 .00215 .00905 .02189 -.00066 .00050 -.00251 |
|
O10 .07282 .05253 .08495 .00342 .01228 .02408 .00142 .00055 .00405 |
|
O11 .12074 -.33904 .59239 .00320 .01089 .03242 .00089 .00162 .00559 |
|
S12 .00963 -.06841 .55985 .00222 .00791 .02098 .00043 .00142 .00181 |
|
C13 -.07276 -.07369 .40039 .00227 .01419 .04838 .00015 -.00130 -.00289 |
|
C14 .02129 .12778 .58522 .00392 .00849 .02839 -.00001 .00204 -.00326 |
|
H15 .19930 -.03881 .80885 2.60 |
|
H16 .30718 -.19207 .75411 4.05 |
|
H17 .33384 -.37029 .02650 2.08 |
|
H18 .25517 -.41118 .35533 4.39 |
|
H19 .02535 .16566 .42299 2.21 |
|
H20 .07654 .14432 .68686 3.27 |
|
H21 -.02535 .16008 .67677 1.54 |
|
H22 -.08700 -.16705 .36148 3.44 |
|
H23 -.11177 -.03064 .51986 6.11 |
|
H24 -.06271 -.03427 .24319 2.45 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
|
| |
