Common molecules sample 50134

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Empirical formula:	C₃H₁N₁
a:	6.960 Å
b:	6.300 Å
c:	3.840 Å
α (alpha):	90.00 °
β (beta):	110.50 °
γ (gamma):	90.00 °
Volume:	157.71 Å³
Space group:	P21/m
Calculated density:	1.075 g/cm³
Z:	2
Temperature:	22.0 °C
Formula weight:	51.048 g/mole
R(F):	0.0490
Structural formula:	HC₃N
Common name:	Cyanoacetylene
CAS registry number:	1070-71-9
CSD refcode:	CAACTY
Short description:	Cyanoacetylene was detected in interstellar space in 1970.
IUPAC name:	2-Propynenitrile
Layman's explanation:	Cyanoacetylene is one of the few nitrile compounds observed by Voyager in interstellar clouds. The compound has been studied in the vapor from microwave absorption spectra and in the solid, liquid, and vapor from infrared absorption spectra. It is used generally in organic synthesis and pyrimidines synthesis, used as hydrocarbon in the manufacture of conductive fibers and in the preparation of electro-conductive polymer.
Citation of a publication:	F.V.Shallcross, G.B.Carpenter; Acta Crystallogr., 11, (1958), 490
Lab name:	Common molecules
Sample provider:	Obtained courtesy of the Cambridge Structural Database
Status:	Complete, visible to public

Repository Files:
50134.cif	50134.crt	50134.gif	50134.ort	50134.pdb
50134.sdt