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Geometry for C4H9NO (Butanamide) 1A C1

1910171554
InChI=1S/C4H9NO/c1-2-3-4(5)6/h2-3H2,1H3,(H2,5,6) INChIKey=DNSISZSEWVHGLH-UHFFFAOYSA-N

HF/6-31G*


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -2.7290 -0.2038 0.0309   2.3106 1.4525 -0.2038
H2 -2.8825 -0.3374 1.0979   3.0176 0.6388 -0.3374
H3 -3.5150 0.4487 -0.3334   2.7738 2.1845 0.4487
H4 -2.8619 -1.1723 -0.4431   2.1655 1.9229 -1.1723
C5 -1.3504 0.3816 -0.2622   0.9930 0.9520 0.3816
H6 -1.2417 0.5415 -1.3313   0.3225 1.7917 0.5415
H7 -1.2480 1.3544 0.2000   1.1573 0.5080 1.3544
C8 -0.2147 -0.5179 0.2291   0.3046 -0.0763 -0.5179
H9 -0.2501 -1.4842 -0.2656   0.0663 0.3587 -1.4842
H10 -0.3319 -0.7144 1.2931   0.9795 -0.9071 -0.7144
N11 2.1738 -0.7669 -0.1551   -1.9112 -1.0473 -0.7669
H12 3.1017 -0.4121 -0.1817   -2.7056 -1.5276 -0.4121
H13 2.0432 -1.7489 -0.1328   -1.7894 -0.9953 -1.7489
C14 1.1590 0.1052 0.0493   -0.9475 -0.6693 0.1052
O15 1.3475 1.2878 0.1125   -1.0717 -0.8246 1.2878
Atom - Atom Distances (Å)
  C1 H2 H3 H4 C5 H6 H7 C8 H9 H10 N11 H12 H13 C14 O15
C1 1.0862 1.0845 1.0864 1.5262 2.1502 2.1564 2.5416 2.8058 2.7568 4.9386 5.8383 5.0188 3.9003 4.3416
H2 1.0862 1.7512 1.7527 2.1712 3.0603 2.5180 2.8115 3.1787 2.5856 5.2269 6.1199 5.2697 4.1987 4.6374
H3 1.0845 1.7512 1.7510 2.1667 2.4844 2.4988 3.4846 3.7948 3.7590 5.8200 6.6742 5.9802 4.7022 4.9545
H4 1.0864 1.7527 1.7510 2.1753 2.5201 3.0664 2.8086 2.6364 3.1024 5.0603 6.0176 4.9487 4.2476 4.9072
C5 1.5262 2.1712 2.1667 2.1753 1.0864 1.0819 1.5299 2.1662 2.1582 3.7083 4.5231 4.0091 2.5438 2.8706
H6 2.1502 3.0603 2.4844 2.5201 1.0864 1.7337 2.1475 2.4945 3.0483 3.8420 4.5930 4.1800 2.8035 3.0570
H7 2.1564 2.5180 2.4988 3.0664 1.0819 1.7337 2.1387 3.0447 2.5128 4.0416 4.7102 4.5358 2.7160 2.5978
C8 2.5416 2.8115 3.4846 2.8086 1.5299 2.1475 2.1387 1.0862 1.0883 2.4320 3.3434 2.5970 1.5191 2.3905
H9 2.8058 3.1787 3.7948 2.6364 2.1662 2.4945 3.0447 1.0862 1.7403 2.5302 3.5201 2.3123 2.1473 3.2217
H10 2.7568 2.5856 3.7590 3.1024 2.1582 3.0483 2.5128 1.0883 1.7403 2.8947 3.7492 2.9572 2.1075 2.8676
N11 4.9386 5.2269 5.8200 5.0603 3.7083 3.8420 4.0416 2.4320 2.5302 2.8947 0.9937 0.9909 1.3536 2.2307
H12 5.8383 6.1199 6.6742 6.0176 4.5231 4.5930 4.7102 3.3434 3.5201 3.7492 0.9937 1.7058 2.0237 2.4604
H13 5.0188 5.2697 5.9802 4.9487 4.0091 4.1800 4.5358 2.5970 2.3123 2.9572 0.9909 1.7058 2.0622 3.1250
C14 3.9003 4.1987 4.7022 4.2476 2.5438 2.8035 2.7160 1.5191 2.1473 2.1075 1.3536 2.0237 2.0622 1.1992
O15 4.3416 4.6374 4.9545 4.9072 2.8706 3.0570 2.5978 2.3905 3.2217 2.8676 2.2307 2.4604 3.1250 1.1992
Maximum atom distance is 6.6742Å between atoms H3 and H12.
picture of Butanamide
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C5 C8 112.542 C5 C8 C14 113.087
C8 C14 N11 115.568 C8 C14 O15 122.713
N11 C14 O15 121.699
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C5 H6 109.627 C1 C5 H7 110.390
H2 C1 H3 107.557 H2 C1 H4 107.555
H2 C1 C5 111.316 H3 C1 H4 107.524
H3 C1 C5 111.056 H4 C1 C5 111.632
C5 C8 H9 110.648 C5 C8 H10 109.889
H6 C5 H7 106.178 H6 C5 C8 109.163
H7 C5 C8 108.732 H9 C8 H10 106.325
H9 C8 C14 109.904 H10 C8 C14 106.694
H12 N11 H13 118.521 H12 N11 C14 118.298
H13 N11 C14 122.430

For information on specific bond angles or dihedrals see the geometry comparison page in section Comparisons > Geometry > Bonds, angles.