10,11-dihydrodiindeno[1,2-b : 2 ',1 '-d]thiophene

I. Afonina, S.J. Coles, M.B. Hursthouse, A.L. Kanibolotsky, P.J. Skabara

Research output: Contribution to journalArticle

3 Citations (Scopus)

Abstract

The title compound, C18H12S, comprises five fused rings forming an essentially planar molecule, with a total puckering amplitude (Q) of 0.032 Å and a maximum deviation from the mean plane of 0.014 (4) Å for the C atoms of the methylene groups. A crystallographic mirror plane orthogonal to the molecular plane passes through the S atom and the midpoint of the opposite C-C bond within the central five-membered ring. The molecules lie in layers, forming edge-to-face C-H interactions, with a separation of 2.66 Å between one H atom of the methylene group and the centroid of an adjacent indene ring.
Original languageEnglish
Article numbero167
JournalActa Crystallographica Section E: Structure Reports
Volume64
Issue numberPart 1
DOIs
Publication statusPublished - 1 Jan 2008

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Thiophenes
Thiophene
thiophenes
methylene
Atoms
rings
indene
atoms
Molecules
centroids
molecules
Mirrors
mirrors
deviation
interactions

Keywords

  • planar molecule
  • methylene
  • indene ring
  • crystal structures

Cite this

Afonina, I., Coles, S. J., Hursthouse, M. B., Kanibolotsky, A. L., & Skabara, P. J. (2008). 10,11-dihydrodiindeno[1,2-b : 2 ',1 '-d]thiophene. Acta Crystallographica Section E: Structure Reports, 64(Part 1), [o167]. https://doi.org/10.1107/S1600536807063684
Afonina, I. ; Coles, S.J. ; Hursthouse, M.B. ; Kanibolotsky, A.L. ; Skabara, P.J. / 10,11-dihydrodiindeno[1,2-b : 2 ',1 '-d]thiophene. In: Acta Crystallographica Section E: Structure Reports. 2008 ; Vol. 64, No. Part 1.
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abstract = "The title compound, C18H12S, comprises five fused rings forming an essentially planar molecule, with a total puckering amplitude (Q) of 0.032 {\AA} and a maximum deviation from the mean plane of 0.014 (4) {\AA} for the C atoms of the methylene groups. A crystallographic mirror plane orthogonal to the molecular plane passes through the S atom and the midpoint of the opposite C-C bond within the central five-membered ring. The molecules lie in layers, forming edge-to-face C-H interactions, with a separation of 2.66 {\AA} between one H atom of the methylene group and the centroid of an adjacent indene ring.",
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Afonina, I, Coles, SJ, Hursthouse, MB, Kanibolotsky, AL & Skabara, PJ 2008, '10,11-dihydrodiindeno[1,2-b : 2 ',1 '-d]thiophene', Acta Crystallographica Section E: Structure Reports, vol. 64, no. Part 1, o167. https://doi.org/10.1107/S1600536807063684

10,11-dihydrodiindeno[1,2-b : 2 ',1 '-d]thiophene. / Afonina, I.; Coles, S.J.; Hursthouse, M.B.; Kanibolotsky, A.L.; Skabara, P.J.

In: Acta Crystallographica Section E: Structure Reports, Vol. 64, No. Part 1, o167, 01.01.2008.

Research output: Contribution to journalArticle

TY - JOUR

T1 - 10,11-dihydrodiindeno[1,2-b : 2 ',1 '-d]thiophene

AU - Afonina, I.

AU - Coles, S.J.

AU - Hursthouse, M.B.

AU - Kanibolotsky, A.L.

AU - Skabara, P.J.

PY - 2008/1/1

Y1 - 2008/1/1

N2 - The title compound, C18H12S, comprises five fused rings forming an essentially planar molecule, with a total puckering amplitude (Q) of 0.032 Å and a maximum deviation from the mean plane of 0.014 (4) Å for the C atoms of the methylene groups. A crystallographic mirror plane orthogonal to the molecular plane passes through the S atom and the midpoint of the opposite C-C bond within the central five-membered ring. The molecules lie in layers, forming edge-to-face C-H interactions, with a separation of 2.66 Å between one H atom of the methylene group and the centroid of an adjacent indene ring.

AB - The title compound, C18H12S, comprises five fused rings forming an essentially planar molecule, with a total puckering amplitude (Q) of 0.032 Å and a maximum deviation from the mean plane of 0.014 (4) Å for the C atoms of the methylene groups. A crystallographic mirror plane orthogonal to the molecular plane passes through the S atom and the midpoint of the opposite C-C bond within the central five-membered ring. The molecules lie in layers, forming edge-to-face C-H interactions, with a separation of 2.66 Å between one H atom of the methylene group and the centroid of an adjacent indene ring.

KW - planar molecule

KW - methylene

KW - indene ring

KW - crystal structures

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DO - 10.1107/S1600536807063684

M3 - Article

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JO - Acta Crystallographica Section E: Structure Reports

JF - Acta Crystallographica Section E: Structure Reports

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ER -

Afonina I, Coles SJ, Hursthouse MB, Kanibolotsky AL, Skabara PJ. 10,11-dihydrodiindeno[1,2-b : 2 ',1 '-d]thiophene. Acta Crystallographica Section E: Structure Reports. 2008 Jan 1;64(Part 1). o167. https://doi.org/10.1107/S1600536807063684