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Ortho­rhom­bic polymorph of (2E)-2-(2,3-dihydro-1H-inden-1-yl­idene)-2,3-di­hydro-1H-inden-1-one

The title compound, C(18)H(14)O, is polymorphic at 123 K. The ortho­rhom­bic form reported herein has two independent mol­ecules in the asymmetric unit, with mol­ecular volume 313.5 Å(3). The previously reported triclinic (P-1) form [Raston & Scott (2000 ▶). Green Chem., 2, 49–52] has mol­ecular...

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Detalles Bibliográficos
Autores principales: Li, Hairong, Fronczek, Frank R., Watkins, Steven F.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2012
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3435792/
https://www.ncbi.nlm.nih.gov/pubmed/22969638
http://dx.doi.org/10.1107/S1600536812035994
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author Li, Hairong
Fronczek, Frank R.
Watkins, Steven F.
author_facet Li, Hairong
Fronczek, Frank R.
Watkins, Steven F.
author_sort Li, Hairong
collection PubMed
description The title compound, C(18)H(14)O, is polymorphic at 123 K. The ortho­rhom­bic form reported herein has two independent mol­ecules in the asymmetric unit, with mol­ecular volume 313.5 Å(3). The previously reported triclinic (P-1) form [Raston & Scott (2000 ▶). Green Chem., 2, 49–52] has mol­ecular volume 309.6 Å(3) at the same temperature. All three mol­ecules deviate significantly and systematically from the putative C(s) symmetry (δ(r.m.s.) = 0.0265, 0.0256, 0.0497 Å). Comparison of the two molecules in the orthorhombic polymorph shows that 16 of the 19 equivalent pairs of framework atoms have a mirror-image pattern of deviations (above/below plane), suggesting that the two are quasi-enanti­omorphs. The pattern of deviations in the triclinic form is nearly the same (13 of 19 atom pairs) as the ortho­rhom­bic form.
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spelling pubmed-34357922012-09-11 Ortho­rhom­bic polymorph of (2E)-2-(2,3-dihydro-1H-inden-1-yl­idene)-2,3-di­hydro-1H-inden-1-one Li, Hairong Fronczek, Frank R. Watkins, Steven F. Acta Crystallogr Sect E Struct Rep Online Organic Papers The title compound, C(18)H(14)O, is polymorphic at 123 K. The ortho­rhom­bic form reported herein has two independent mol­ecules in the asymmetric unit, with mol­ecular volume 313.5 Å(3). The previously reported triclinic (P-1) form [Raston & Scott (2000 ▶). Green Chem., 2, 49–52] has mol­ecular volume 309.6 Å(3) at the same temperature. All three mol­ecules deviate significantly and systematically from the putative C(s) symmetry (δ(r.m.s.) = 0.0265, 0.0256, 0.0497 Å). Comparison of the two molecules in the orthorhombic polymorph shows that 16 of the 19 equivalent pairs of framework atoms have a mirror-image pattern of deviations (above/below plane), suggesting that the two are quasi-enanti­omorphs. The pattern of deviations in the triclinic form is nearly the same (13 of 19 atom pairs) as the ortho­rhom­bic form. International Union of Crystallography 2012-08-23 /pmc/articles/PMC3435792/ /pubmed/22969638 http://dx.doi.org/10.1107/S1600536812035994 Text en © Li et al. 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
Li, Hairong
Fronczek, Frank R.
Watkins, Steven F.
Ortho­rhom­bic polymorph of (2E)-2-(2,3-dihydro-1H-inden-1-yl­idene)-2,3-di­hydro-1H-inden-1-one
title Ortho­rhom­bic polymorph of (2E)-2-(2,3-dihydro-1H-inden-1-yl­idene)-2,3-di­hydro-1H-inden-1-one
title_full Ortho­rhom­bic polymorph of (2E)-2-(2,3-dihydro-1H-inden-1-yl­idene)-2,3-di­hydro-1H-inden-1-one
title_fullStr Ortho­rhom­bic polymorph of (2E)-2-(2,3-dihydro-1H-inden-1-yl­idene)-2,3-di­hydro-1H-inden-1-one
title_full_unstemmed Ortho­rhom­bic polymorph of (2E)-2-(2,3-dihydro-1H-inden-1-yl­idene)-2,3-di­hydro-1H-inden-1-one
title_short Ortho­rhom­bic polymorph of (2E)-2-(2,3-dihydro-1H-inden-1-yl­idene)-2,3-di­hydro-1H-inden-1-one
title_sort ortho­rhom­bic polymorph of (2e)-2-(2,3-dihydro-1h-inden-1-yl­idene)-2,3-di­hydro-1h-inden-1-one
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3435792/
https://www.ncbi.nlm.nih.gov/pubmed/22969638
http://dx.doi.org/10.1107/S1600536812035994
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