NDLI: Crystal structure of the charge-transfer complex 2-(1,2,3,4-tetra-hydro-naph-thal-en-1-yl-idene)hydrazinecarbo-thio-amide-pyrazine-2,3,5,6-tetra-carbo-nitrile (2/1).

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Crystal structure of the charge-transfer complex 2-(1,2,3,4-tetra-hydro-naph-thal-en-1-yl-idene)hydrazinecarbo-thio-amide-pyrazine-2,3,5,6-tetra-carbo-nitrile (2/1).

Content Provider	Europe PMC
Author	Beck, Johannes Daniels, Jörg Krieger-Beck, Petra Dittmann, Gertrud de Oliveira, Adriano Bof
Copyright Year	2014
Abstract	The reaction of 2-(1,2,3,4-tetrahydronapthalen-1-ylidene)hydrazinecarbothioamide (TTSC) with pyrazine-2,3,5,6-tetracarbonitrile (tetracyanopyrazine, TCNP) yields the title 2:1 charge-transfer adduct, 2C11H12N3S·C6N8. The complete TCNP molecule is generated by a crystallographic inversion centre and the non-aromatic ring in the TTSC molecule adopts an envelope conformation with a methylene C atom as the flap. In the crystal, the thiosemicarbazone molecules are connected through inversion-related pairs of N—H⋯S interactions, building a polymeric chain along the b-axis direction. The TCNP molecules are embedded in the structure, forming TTSC–TCNP–TTSC stacks with the aromatic rings of TTSC and the molecular plane of TCNP in a parallel arrangement [centroid–centroid distance = 3.5558 (14) Å]. Charge-transfer (CT) via π-stacking is indicated by a CT band around 550 cm−1 in the single-crystal absorption spectrum.
Journal	Acta crystallographica. Section E, Structure Reports Online
Volume Number	70
PubMed Central reference number	PMC4257178
Issue Number	Pt 10
Issue Number	pt 10
PubMed reference number	25484688
e-ISSN	16005368
DOI	10.1107/s1600536814019795
Language	English
Publisher	International Union of Crystallography
Publisher Date	2014-09-06
Access Restriction	Open
Rights License	This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permitsunrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited. © Beck et al. 2014
Subject Keyword	charge-transfer composite compound tetracyanopyrazine thiosemicarbazone crystal structure
Content Type	Text
Resource Type	Article
Subject	Chemistry Condensed Matter Physics Materials Science

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