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  Adiponitrile at 100 K

Seidel, R. W., Goddard, R., Nöthling, N., & Lehmann, C. W. (2017). Adiponitrile at 100 K. Acta Crystallographica, Section C: Crystal Structure Communications, 73(11), 937-940. doi:10.1107/S2053229617014620.

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 Creators:
Seidel, Rüdiger W.1, Author              
Goddard, Richard1, Author              
Nöthling, Nils1, Author              
Lehmann, Christian W.1, Author              
Affiliations:
1Service Department Lehmann (EMR), Max-Planck-Institut für Kohlenforschung, Max Planck Society, ou_1445625              

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Free keywords: adiponitrile; polyamide Nylon 66; crystal structure; synthetic intermediate; hexanedinitrile; in situ cryocrystallography
 Abstract: Adiponitrile, C6H8N2, 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 P21/c with Z = 2. In the crystal structure, the molecule adopts an exact Ci-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.

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Language(s): eng - English
 Dates: 2017-10-032017-10-102017-11-01
 Publication Status: Published in print
 Pages: 4
 Publishing info: -
 Table of Contents: -
 Rev. Type: Peer
 Identifiers: DOI: 10.1107/S2053229617014620
 Degree: -

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Title: Acta Crystallographica, Section C: Crystal Structure Communications
  Other : Acta Crystallogr., Sect. C: Cryst. Struct. Commun.
Source Genre: Journal
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Publ. Info: Copenhagen, Denmark : Published for International Union of Crystallography by Munksgaard
Pages: - Volume / Issue: 73 (11) Sequence Number: - Start / End Page: 937 - 940 Identifier: ISSN: 0108-2701
CoNE: https://pure.mpg.de/cone/journals/resource/110987085479123