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Table 1

Spectroscopic parameters determined for the Z and E isomers of C-cyanomethanimine.

E-C-cyanomethanimine Z-C-cyanomethanimine
Parameters Present work Previous resultsa Present work Previous resultsa

A 62 700.392(22)b 62 695.094(24) 54 193.405(32) 54173.1(50)
B 4972.04534(22) 4972.04643(81) 5073.86584(15) 5073.86506(86)
C 4600.29561(23) 4600.29460(89) 4632.38905(14) 4632.39090(74)
D J × 103 1.881477(94) 1.8704(55) 2.425671(87) 2.4737(74)
D JK -0.1054288(30) -0.10455(17) -0.1032838(27) -0.10331(21)
D K 5.1408(52) 3.5488(59)
d 1 × 103 -0.33939(13) -0.3272(57) -0.48265(10) -0.4961(82)
d 2 × 103 -0.020511(20) 0.0221(71) -0.031338(21) -0.0321(55)
H J × 109 4.661(33) 6.998(35)
H JK × 106 -0.42172(97) -0.40281(93)
H KJ × 106 -7.303(11) -8.986(15)
H K × 103 0.906723c 0.599872c
h 1 × 109 1.823(45) 2.555(38)
h 2 × 109 0.1571c 0.2675c
h 3 × 109 0.0450c 0.0738c
χaa(CN) -4.1315(20) -4.1280(67) -4.0102(51) -4.012(21)
χbb(CN) -0.2006(31) -0.1972(57) -0.20845(39) -0.2146(86)
χaa(NH) 0.7447(30) 0.753(11) -4.2721(49) -4.269(21)
χbb(NH) -2.0661(51) -2.0642(89) -0.81008(50) -0.8201(82)
Caa(NH) 0.0173(19) 0.0064(22)
# lines 384 384
RMS error 0.036 0.038
σ 0.81 0.95

Notes.Units are in MHz, except the dimensionless standard deviation σ.

(b)

Values in parenthesis denote one standard deviation and apply to the last digits of the constants.

(c)

Fixed at the computed value (Puzzarini 2015).

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