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Listing of experimental geometry data for C2H2N2O (Furazan)

Rotational Constants (cm-1)

See section I.F.4 to change rotational constant units
0.34881 0.32294 0.16757
Rotational Constants from 1988Sti:597-606
Calculated rotational constants for C2H2N2O (Furazan).

Point Group C2v

Internal coordinates

(distances (r) in Å) (angles (a) in degrees) (dihedrals (d) in degrees)
Description Value Connectivity Reference Comment
Atom 1 Atom 2 Atom 3 Atom 4
rNO 1.373 1 2 1988Sti:597-606
rCN 1.303 2 4 1988Sti:597-606
rCC 1.421 4 5 1988Sti:597-606
rHC 1.076 4 6 1988Sti:597-606
aNON 111.15 2 1 3 1988Sti:597-606
aCNO 105.53 1 2 4 1988Sti:597-606
aCCN 108.89 2 4 5 1988Sti:597-606
aHCC 130.16 4 5 7 1988Sti:597-606
picture of Furazan

Bond descriptions

Examples: C-C single bond, C=C, double bond, C#C triple bond, C:C aromatic bond
Bond Type Count
N-O 2
C=N 2
C-C 1
H-C 2
Atom x (Å) y (Å) z (Å)
O1 0.0000 0.0000 1.1289
N2 0.0000 1.1325 0.3527
N3 0.0000 -1.1325 0.3527
C4 0.0000 0.7104 -0.8803
C5 0.0000 -0.7104 -0.8803
H6 0.0000 1.4045 -1.7029
H7 0.0000 -1.4045 -1.7029

Atom - Atom Distances (Å)
  O1 N2 N3 C4 C5 H6 H7

Calculated geometries for C2H2N2O (Furazan).
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squib reference DOI
1988Sti:597-606 OL Stiefvater "Microwave Spectra of Furazan" Z. Naturforsch. 43a, 597-606 (1988)  

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