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6-Amino-5-(1-amino-2,2-dicyano­vin­yl)-3,3a,4,5-tetra­hydro-2H-indene-4-spiro-1′-cyclo­pentane-3a,7-dicarbonitrile–thio­phene-2-carbaldehyde (1/0.5)

In each of the two independent indene-4-spiro­pentane mol­ecules in the asymmetric unit of the title 2:1 adduct, C(19)H(18)N(6)·0.5C(5)H(4)OS, the cyclo­hexene ring adopts a half-chair conformation and the cyclo­pentene and cyclo­pentane rings adopt envelope conformations. The mean plane through the...

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Autores principales: Asiri, Abdullah M., Ng, Seik Weng
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2010
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2983394/
https://www.ncbi.nlm.nih.gov/pubmed/21587485
http://dx.doi.org/10.1107/S1600536810034434
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author Asiri, Abdullah M.
Ng, Seik Weng
author_facet Asiri, Abdullah M.
Ng, Seik Weng
author_sort Asiri, Abdullah M.
collection PubMed
description In each of the two independent indene-4-spiro­pentane mol­ecules in the asymmetric unit of the title 2:1 adduct, C(19)H(18)N(6)·0.5C(5)H(4)OS, the cyclo­hexene ring adopts a half-chair conformation and the cyclo­pentene and cyclo­pentane rings adopt envelope conformations. The mean plane through the cyclo­hexene/cyclo­pentene fused system is aligned at a dihedral angle of 77.9 (1)° with respect to the mean plane through the cyclo­pentane ring in one mol­ecule and 87.0 (1)° in the other. In the crystal, adjacent indene-4-spiro­pentane mol­ecules are linked by N—H⋯N hydrogen bonds into a three-dimensional network. The spaces within the network are occupied by the thio­phene-2-carbaldehyde mol­ecules. The thio­phene-2-carbaldehyde unit is disordered over two positions of equal occupancy. The crystal studied was found to be a non-morohedral twin with two minor twin components of 18.4 and 9.7%.
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spelling pubmed-29833942010-12-30 6-Amino-5-(1-amino-2,2-dicyano­vin­yl)-3,3a,4,5-tetra­hydro-2H-indene-4-spiro-1′-cyclo­pentane-3a,7-dicarbonitrile–thio­phene-2-carbaldehyde (1/0.5) Asiri, Abdullah M. Ng, Seik Weng Acta Crystallogr Sect E Struct Rep Online Organic Papers In each of the two independent indene-4-spiro­pentane mol­ecules in the asymmetric unit of the title 2:1 adduct, C(19)H(18)N(6)·0.5C(5)H(4)OS, the cyclo­hexene ring adopts a half-chair conformation and the cyclo­pentene and cyclo­pentane rings adopt envelope conformations. The mean plane through the cyclo­hexene/cyclo­pentene fused system is aligned at a dihedral angle of 77.9 (1)° with respect to the mean plane through the cyclo­pentane ring in one mol­ecule and 87.0 (1)° in the other. In the crystal, adjacent indene-4-spiro­pentane mol­ecules are linked by N—H⋯N hydrogen bonds into a three-dimensional network. The spaces within the network are occupied by the thio­phene-2-carbaldehyde mol­ecules. The thio­phene-2-carbaldehyde unit is disordered over two positions of equal occupancy. The crystal studied was found to be a non-morohedral twin with two minor twin components of 18.4 and 9.7%. International Union of Crystallography 2010-09-04 /pmc/articles/PMC2983394/ /pubmed/21587485 http://dx.doi.org/10.1107/S1600536810034434 Text en © Asiri and Ng 2010 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.
spellingShingle Organic Papers
Asiri, Abdullah M.
Ng, Seik Weng
6-Amino-5-(1-amino-2,2-dicyano­vin­yl)-3,3a,4,5-tetra­hydro-2H-indene-4-spiro-1′-cyclo­pentane-3a,7-dicarbonitrile–thio­phene-2-carbaldehyde (1/0.5)
title 6-Amino-5-(1-amino-2,2-dicyano­vin­yl)-3,3a,4,5-tetra­hydro-2H-indene-4-spiro-1′-cyclo­pentane-3a,7-dicarbonitrile–thio­phene-2-carbaldehyde (1/0.5)
title_full 6-Amino-5-(1-amino-2,2-dicyano­vin­yl)-3,3a,4,5-tetra­hydro-2H-indene-4-spiro-1′-cyclo­pentane-3a,7-dicarbonitrile–thio­phene-2-carbaldehyde (1/0.5)
title_fullStr 6-Amino-5-(1-amino-2,2-dicyano­vin­yl)-3,3a,4,5-tetra­hydro-2H-indene-4-spiro-1′-cyclo­pentane-3a,7-dicarbonitrile–thio­phene-2-carbaldehyde (1/0.5)
title_full_unstemmed 6-Amino-5-(1-amino-2,2-dicyano­vin­yl)-3,3a,4,5-tetra­hydro-2H-indene-4-spiro-1′-cyclo­pentane-3a,7-dicarbonitrile–thio­phene-2-carbaldehyde (1/0.5)
title_short 6-Amino-5-(1-amino-2,2-dicyano­vin­yl)-3,3a,4,5-tetra­hydro-2H-indene-4-spiro-1′-cyclo­pentane-3a,7-dicarbonitrile–thio­phene-2-carbaldehyde (1/0.5)
title_sort 6-amino-5-(1-amino-2,2-dicyano­vin­yl)-3,3a,4,5-tetra­hydro-2h-indene-4-spiro-1′-cyclo­pentane-3a,7-dicarbonitrile–thio­phene-2-carbaldehyde (1/0.5)
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2983394/
https://www.ncbi.nlm.nih.gov/pubmed/21587485
http://dx.doi.org/10.1107/S1600536810034434
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AT ngseikweng 6amino51amino22dicyanovinyl33a45tetrahydro2hindene4spiro1cyclopentane3a7dicarbonitrilethiophene2carbaldehyde105