In:
Acta Crystallographica Section C Structural Chemistry, International Union of Crystallography (IUCr), Vol. 73, No. 11 ( 2017-11-01), p. 937-940
Abstract:
Adiponitrile, C 6 H 8 N 2 , is a key intermediate in the synthesis of the polyamide Nylon 66 and is produced industrially on a large scale. We have determined the crystal and molecular structure of adiponitrile by single-crystal X-ray analysis at 100 K, a suitable crystal (m.p. 275 K) having been grown from the melt at low temperature. The compound crystallizes in the monoclinic space group P 2 1 / c with Z = 2. In the crystal structure, the molecule adopts an exact C i -symmetric gauche – anti – gauche conformation of the C—C—C—C skeleton about an inversion centre. The molecules are densely packed, with short intermolecular contacts between the α-H and nitrile N atoms.
Type of Medium:
Online Resource
ISSN:
2053-2296
DOI:
10.1107/S2053229617014620
DOI:
10.1107/S2053229617014620/sk3672sup1.cif
DOI:
10.1107/S2053229617014620/sk3672Isup2.hkl
DOI:
10.1107/S2053229617014620/sk3672Isup3.mol
DOI:
10.1107/S2053229617014620/sk3672sup4.pdf
DOI:
10.1107/S2053229617014620/sk3672Isup5.cml
Language:
Unknown
Publisher:
International Union of Crystallography (IUCr)
Publication Date:
2017
detail.hit.zdb_id:
2025703-X
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