American Mineralogist Crystal Structure Database

1 matching records for this search.

Acetamide
Download hom/acetamide.pdf
Jeffrey G A, Ruble J R, McMullan R K, DeFrees D J, Binkley J S, Pople J A
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-7681&volume=36&spage=2292
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
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