Cargando…
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...
Autores principales: | , |
---|---|
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 |
_version_ | 1782225930249306112 |
---|---|
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. |
format | Online Article Text |
id | pubmed-3297888 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2012 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
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 |
work_keys_str_mv | AT tabatahideyuki 9ethynyl9hcarbazole AT okunotsunehisa 9ethynyl9hcarbazole |