|
Acetamide |
 |
Jeffrey G A, Ruble J R, McMullan R K, DeFrees D J, Binkley J S, Pople J A |
|
Acta Crystallographica B36 (1980) 2292-2299 |
|
Neutron diffraction at 23 K and ab initio molecular-orbital studies of |
|
molecular structure of acetamide |
|
Note: T = 23 K |
|
Locality: synthetic |
|
_database_code_amcsd 0019020 |
|
11.513 11.513 12.883 90 90 120 R3c |
|
atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
C1 .47665 .12990 .03599 .0065 .0066 .0101 .0012 -.0001 .0001 |
|
C2 .34109 .00387 .03924 .0045 .0047 .0067 .0017 -.0001 .0001 |
|
H1 .2429 -.1829 .1062 .015 .015 .028 .003 .001 .005 |
|
H2 .4182 -.0931 .1235 .015 .021 .027 .010 -.005 .004 |
|
H3 .4879 .1885 .1051 .037 .030 .033 -.001 .005 -.018 |
|
H4 .5575 .1084 .0351 .017 .026 .090 .011 .004 .003 |
|
H5 .4838 .1908 -.0298 .035 .030 .035 -.002 -.009 .020 |
|
O .24111 -.00060 -.00229 .0057 .0062 .0112 .0026 -.0016 .0009 |
|
N .33393 -.10004 .09090 .0070 .0071 .0106 .0031 -.0005 .0021 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
Multiple datasets can be concatenated into a single downloadable file by selecting the datasets and then clicking
Multiple datasets can be downloaded as individual files inside a ZIP archive by selecting the datasets and then clicking
Total number of retrieved datasets: 