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9-Ethynyl-9H-carbazole

The title compound, C(14)H(9)N, is the second crystallographically characterized example of an ynamine with an H atom in the C-terminal position. There are two independent mol­ecules (A and B) in the asymmetric unit. The structures of both mol­ecules are essentially planar (r.m.s. deviation = 0.0312...

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Autores principales: Tabata, Hideyuki, Okuno, Tsunehisa
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2012
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3297888/
https://www.ncbi.nlm.nih.gov/pubmed/22412691
http://dx.doi.org/10.1107/S1600536812007143
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author Tabata, Hideyuki
Okuno, Tsunehisa
author_facet Tabata, Hideyuki
Okuno, Tsunehisa
author_sort Tabata, Hideyuki
collection PubMed
description The title compound, C(14)H(9)N, is the second crystallographically characterized example of an ynamine with an H atom in the C-terminal position. There are two independent mol­ecules (A and B) in the asymmetric unit. The structures of both mol­ecules are essentially planar (r.m.s. deviation = 0.0312 and 0.0152 Å). The N—C(sp) bond lengths are 1.353 (4) and 1.350 (4) Å, and those of the acetyl­ene bonds are 1.189 (4) and 1.190 (4) Å. The C(sp)—H bond lengths are 0.95 (5) and 0.97 (4) Å. These geometries are consistent with those of the previously reported ynamine characterized by crystallography. In the crystal, the mol­ecules stack along the c axis, forming two kinds of columnar structures. The acetyl­ene C atoms of mol­ecule A have a short contact [3.341 (4) Å and 3.396 (4) Å] with an adjacent mol­ecule A at the C—C bond of the fused part, which originates in π–π stacking inter­action; no remarkable spatial contact is recognized within the stacking of mol­ecule B.
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spelling pubmed-32978882012-03-12 9-Ethynyl-9H-carbazole Tabata, Hideyuki Okuno, Tsunehisa Acta Crystallogr Sect E Struct Rep Online Organic Papers The title compound, C(14)H(9)N, is the second crystallographically characterized example of an ynamine with an H atom in the C-terminal position. There are two independent mol­ecules (A and B) in the asymmetric unit. The structures of both mol­ecules are essentially planar (r.m.s. deviation = 0.0312 and 0.0152 Å). The N—C(sp) bond lengths are 1.353 (4) and 1.350 (4) Å, and those of the acetyl­ene bonds are 1.189 (4) and 1.190 (4) Å. The C(sp)—H bond lengths are 0.95 (5) and 0.97 (4) Å. These geometries are consistent with those of the previously reported ynamine characterized by crystallography. In the crystal, the mol­ecules stack along the c axis, forming two kinds of columnar structures. The acetyl­ene C atoms of mol­ecule A have a short contact [3.341 (4) Å and 3.396 (4) Å] with an adjacent mol­ecule A at the C—C bond of the fused part, which originates in π–π stacking inter­action; no remarkable spatial contact is recognized within the stacking of mol­ecule B. International Union of Crystallography 2012-02-24 /pmc/articles/PMC3297888/ /pubmed/22412691 http://dx.doi.org/10.1107/S1600536812007143 Text en © Tabata and Okuno 2012 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
Tabata, Hideyuki
Okuno, Tsunehisa
9-Ethynyl-9H-carbazole
title 9-Ethynyl-9H-carbazole
title_full 9-Ethynyl-9H-carbazole
title_fullStr 9-Ethynyl-9H-carbazole
title_full_unstemmed 9-Ethynyl-9H-carbazole
title_short 9-Ethynyl-9H-carbazole
title_sort 9-ethynyl-9h-carbazole
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3297888/
https://www.ncbi.nlm.nih.gov/pubmed/22412691
http://dx.doi.org/10.1107/S1600536812007143
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