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Document Type:	Artigo
Title:	Crystal structure of the charge-transfer complex 2-(1,2,3,4-tetrahydronaphthalen-1-ylidene) hydrazinecarbothioamide–pyrazine-2,3,5,6-tetracarbonitrile (2/1)
Authors:	Beck, Johannes Daniels, Jörg Krieger-Beck, Petra Dittmann, Gertrud Oliveira, Adriano Bof de
Issue Date:	Oct-2014
Resumo :	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, 2C11H12N3SC6N8. 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—HS 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) A˚ ]. Charge-transfer (CT) via -stacking is indicated by a CT band around 550 cm1 in the single-crystal absorption spectrum.
Keywords:	Charge-transfer composite compound Tetracyanopyrazine Thiosemicarbazone Crystal structure
ISSN:	1600-5368
Is part of:	Acta Crystallographica Section E
Language:	eng
Publisher / Institution :	International Union of Crystallography
Citation:	BECK, J. et al. Crystal structure of the charge-transfer complex 2-(1,2,3,4-tetrahydronaphthalen-1-ylidene) hydrazinecarbothioamide–pyrazine-2,3,5,6-tetracarbonitrile (2/1). Acta Crystallographica Section E, Chester, v. 70, n. 10, p. o1090, out. 2014. Disponível em: https://journals.iucr.org/e/issues/2014/10/00/hb7278/index.html. Acesso em: 8 jan. 2026.
License:	Creative Commons Atribuição 2.0 Reino Unido: Inglaterra e País de Gales (CC BY 2.0 UK)
URI:	https://ri.ufs.br/jspui/handle/riufs/24151
Appears in Collections:	DQI - Artigos de periódicos

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