C7H7NO-1
Formanilide
Experimental GED+MW rh1 structure <bib id="MarochkinSC2013" />.
Trans-conformer (59 <math>\pm</math> 5 % @ 410 K)
<jmol>
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16 Formanilide trans conformer GED+MW rh1-structure C 0.000000000000 -1.317936787058 -1.011606670231 C 0.000000000000 -0.416123550270 0.064775625541 C -0.000000000000 0.966162576335 -0.179972173230 C -0.000000000000 1.428337825046 -1.499848185417 C 0.000000000000 0.543458095113 -2.581133802313 C 0.000000000000 -0.830349545179 -2.317952168492 H -0.000000000000 -2.403954997461 -0.830213868099 H -0.000000000000 1.663979922681 0.663217146664 H -0.000000000000 0.924859642553 -3.611103768480 N -0.000000000000 -0.952199498537 1.369184450251 H -0.000000000000 2.512181802207 -1.681528332738 H 0.000000000000 -1.536832621942 -3.159494992616 C -0.000000000000 -0.305817572205 2.574606807074 H -0.000000000000 -1.041773187832 3.416666962166 O 0.000000000000 0.898687872718 2.753404463845 H -0.000000000000 -1.957557816845 1.432265027051
</inlineContents> </jmolApplet>
</jmol>
Cis-conformer (41 <math>\pm</math> 5 % @ 410 K)
<jmol>
<jmolApplet> <inlineContents>
16 Formanilide cis conformer GED+MW rh1-structure C 0.003553445443 1.292163220095 0.886975137173 C -0.143701272854 0.214071377225 0.002280825622 C -0.172182732001 -1.095972716344 0.503631812488 C -0.016704094759 -1.325295796317 1.873360680333 C 0.130784204974 -0.258277978290 2.764354191949 C 0.126459838079 1.044359245848 2.255184271860 H 0.031138508801 2.323218585390 0.504499294838 H -0.344594956303 -1.941643405688 -0.175343755810 H 0.237660105242 -0.447233542162 3.840919043410 N -0.278625897704 0.459631979172 -1.379437043655 H -0.036592047720 -2.356916976877 2.251267324348 H 0.236069330526 1.888387586805 2.950107896925 C 0.228820435811 -0.312205365436 -2.391075343965 H 0.772677698451 -1.209600631805 -2.012058403549 O 0.111350312638 -0.046260745268 -3.572758392879 H -0.661970309975 1.344485154971 -1.678062420028
</inlineContents> </jmolApplet>
</jmol>