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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...
Autores principales: | , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2012
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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. |
format | Online Article Text |
id | pubmed-3435792 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2012 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
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
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title_full | Orthorhombic polymorph of (2E)-2-(2,3-dihydro-1H-inden-1-ylidene)-2,3-dihydro-1H-inden-1-one
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title_fullStr | Orthorhombic polymorph of (2E)-2-(2,3-dihydro-1H-inden-1-ylidene)-2,3-dihydro-1H-inden-1-one
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title_full_unstemmed | Orthorhombic polymorph of (2E)-2-(2,3-dihydro-1H-inden-1-ylidene)-2,3-dihydro-1H-inden-1-one
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title_short | Orthorhombic polymorph of (2E)-2-(2,3-dihydro-1H-inden-1-ylidene)-2,3-dihydro-1H-inden-1-one
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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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