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Geometry for C3H10N2 (1,2-Diaminopropane) 1A C1

1910171554
InChI=1S/C3H10N2/c1-3(5)2-4/h3H,2,4-5H2,1H3 INChIKey=AOHJOMMDDJHIJH-UHFFFAOYSA-N

B3LYP/3-21G


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
N1 0.4491 1.3918 -0.2027   -0.4022 1.4105 -0.1687
H2 -0.3971 1.8870 0.0970   0.4612 1.8697 0.1392
H3 1.2739 1.9382 0.0662   -1.2071 1.9782 0.1158
N4 -2.0488 -0.1397 0.0240   2.0429 -0.2096 0.0131
H5 -2.1942 0.7079 -0.5266   2.2154 0.6452 -0.5182
H6 -2.2595 0.0141 1.0128   2.2617 -0.0860 1.0045
C7 -0.7262 -0.7522 -0.2091   0.6996 -0.7713 -0.2291
H8 -0.7291 -1.7661 0.2094   0.6693 -1.7942 0.1657
H9 -0.5819 -0.8238 -1.2918   0.5498 -0.8127 -1.3127
C10 1.7969 -0.6518 -0.0474   -1.8181 -0.5893 -0.0558
H11 1.8203 -1.6945 0.2883   -1.8760 -1.6381 0.2557
H12 1.8817 -0.6183 -1.1382   -1.9049 -0.5275 -1.1453
H13 2.6611 -0.1328 0.3845   -2.6629 -0.0515 0.3912
C14 0.4825 0.0240 0.3690   -0.4804 0.0317 0.3712
H15 0.4034 0.0034 1.4745   -0.3988 -0.0173 1.4757
Atom - Atom Distances (Å)
  N1 H2 H3 N4 H5 H6 C7 H8 H9 C10 H11 H12 H13 C14 H15
N1 1.0252 1.0253 2.9387 2.7495 3.2729 2.4450 3.3956 2.6754 2.4529 3.4127 2.6397 2.7499 1.4828 2.1778
H2 1.0252 1.6720 2.6155 2.2380 2.7955 2.6771 3.6698 3.0514 3.3585 4.2167 3.6048 3.6762 2.0781 2.4670
H3 1.0253 1.6720 3.9191 3.7273 4.1332 3.3637 4.2136 3.5940 2.6447 3.6803 2.8906 2.5129 2.0934 2.5465
N4 2.9387 2.6155 3.9191 1.0211 1.0227 1.4760 2.1026 2.0859 3.8802 4.1782 4.1265 4.7237 2.5599 2.8527
H5 2.7495 2.2380 3.7273 1.0211 1.6898 2.0947 2.9680 2.3518 4.2435 4.7489 4.3296 5.0111 2.9043 3.3539
H6 3.2729 2.7955 4.1332 1.0227 1.6898 2.1050 2.4813 2.9711 4.2452 4.4821 4.7092 4.9628 2.8166 2.7027
C7 2.4450 2.6771 3.3637 1.4760 2.0947 2.1050 1.0969 1.0947 2.5302 2.7605 2.7717 3.4942 1.5484 2.1636
H8 3.3956 3.6698 4.2136 2.1026 2.9680 2.4813 1.0969 1.7786 2.7727 2.5517 3.1543 3.7672 2.1675 2.4524
H9 2.6754 3.0514 3.5940 2.0859 2.3518 2.9711 1.0947 1.7786 2.6901 3.0043 2.4769 3.7155 2.1471 3.0508
C10 2.4529 3.3585 2.6447 3.8802 4.2435 4.2452 2.5302 2.7727 2.6901 1.0956 1.0946 1.0967 1.5354 2.1650
H11 3.4127 4.2167 3.6803 4.1782 4.7489 4.4821 2.7605 2.5517 3.0043 1.0956 1.7880 1.7762 2.1793 2.5095
H12 2.6397 3.6048 2.8906 4.1265 4.3296 4.7092 2.7717 3.1543 2.4769 1.0946 1.7880 1.7782 2.1545 3.0656
H13 2.7499 3.6762 2.5129 4.7237 5.0111 4.9628 3.4942 3.7672 3.7155 1.0967 1.7762 1.7782 2.1843 2.5107
C14 1.4828 2.0781 2.0934 2.5599 2.9043 2.8166 1.5484 2.1675 2.1471 1.5354 2.1793 2.1545 2.1843 1.1085
H15 2.1778 2.4670 2.5465 2.8527 3.3539 2.7027 2.1636 2.4524 3.0508 2.1650 2.5095 3.0656 2.5107 1.1085
Maximum atom distance is 5.0111Å between atoms H5 and H13.
picture of 1,2-Diaminopropane
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
N1 C14 C7 107.508 N1 C14 C10 108.706
N4 C7 C14 115.628 C7 C14 C10 110.263
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
N1 C14 H15 113.581 H2 N1 H3 109.264
H2 N1 C14 110.575 H3 N1 C14 111.861
N4 C7 H8 108.721 N4 C7 H9 107.542
H5 N4 H6 111.541 H5 N4 C7 112.763
H6 N4 C7 113.561 C7 C14 H15 107.895
H8 C7 H9 108.495 H8 C7 C14 108.844
H9 C7 C14 107.408 C10 C14 H15 108.867
H11 C10 H12 109.441 H11 C10 H13 108.227
H11 C10 C14 110.739 H12 C10 H13 108.474
H12 C10 C14 108.852 H13 C10 C14 111.067

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