Crystal structure of ethyl 2-methyl-5,10-dioxo-4-phenyl-5,10-dihydro-4H-11-thia-1,4a-diaza-benzo[b]fluorene-3-carboxylate

Yegor Yartsev, Pavel Lyubashov, Vyacheslav Povstyanoy, Mykhailo Povstyaniy, Iryna Lebedyeva

Research output: Contribution to journalArticle

Abstract

The title compound, C24H18N2O4S, crystallizes in the orthorhombic P212121 space group, indicating the existence of only one enantiomer with an S configuration of the chiral center in the crystal phase. The dihydropyrimidine ring adopts a twist-boat conformation while the quinone ring is slightly non-planar. In the crystal, molecules are linked by weak C-H O and C-H S hydrogen bonds and C-H interactions. In addition, a short intermolecular S N contact of 3.250 (3) Å indicates an interaction between the S atom and the -system of the thiazole ring.

Original languageEnglish (US)
Pages (from-to)124-126
Number of pages3
JournalActa Crystallographica Section E: Crystallographic Communications
Volume74
DOIs
StatePublished - Jan 1 2018

Fingerprint

carboxylates
Crystal structure
Thiazoles
Crystals
crystal structure
Enantiomers
rings
Boats
Conformations
Hydrogen bonds
enantiomers
boats
quinones
Atoms
Molecules
crystals
interactions
hydrogen bonds
configurations
atoms

Keywords

  • Crystal structure
  • DHPM
  • Dihydropyrimidine
  • Dihydropyrimidine
  • Enantiomer

ASJC Scopus subject areas

  • Chemistry(all)
  • Materials Science(all)
  • Condensed Matter Physics

Cite this

Crystal structure of ethyl 2-methyl-5,10-dioxo-4-phenyl-5,10-dihydro-4H-11-thia-1,4a-diaza-benzo[b]fluorene-3-carboxylate. / Yartsev, Yegor; Lyubashov, Pavel; Povstyanoy, Vyacheslav; Povstyaniy, Mykhailo; Lebedyeva, Iryna.

In: Acta Crystallographica Section E: Crystallographic Communications, Vol. 74, 01.01.2018, p. 124-126.

Research output: Contribution to journalArticle

@article{865a06df56ac431d848ddc3155222835,
title = "Crystal structure of ethyl 2-methyl-5,10-dioxo-4-phenyl-5,10-dihydro-4H-11-thia-1,4a-diaza-benzo[b]fluorene-3-carboxylate",
abstract = "The title compound, C24H18N2O4S, crystallizes in the orthorhombic P212121 space group, indicating the existence of only one enantiomer with an S configuration of the chiral center in the crystal phase. The dihydropyrimidine ring adopts a twist-boat conformation while the quinone ring is slightly non-planar. In the crystal, molecules are linked by weak C-H O and C-H S hydrogen bonds and C-H interactions. In addition, a short intermolecular S N contact of 3.250 (3) {\AA} indicates an interaction between the S atom and the -system of the thiazole ring.",
keywords = "Crystal structure, DHPM, Dihydropyrimidine, Dihydropyrimidine, Enantiomer",
author = "Yegor Yartsev and Pavel Lyubashov and Vyacheslav Povstyanoy and Mykhailo Povstyaniy and Iryna Lebedyeva",
year = "2018",
month = "1",
day = "1",
doi = "10.1107/S2056989018000117",
language = "English (US)",
volume = "74",
pages = "124--126",
journal = "Acta Crystallographica Section E: Crystallographic Communications",
issn = "2056-9890",
publisher = "International Union of Crystallography",

}

TY - JOUR

T1 - Crystal structure of ethyl 2-methyl-5,10-dioxo-4-phenyl-5,10-dihydro-4H-11-thia-1,4a-diaza-benzo[b]fluorene-3-carboxylate

AU - Yartsev, Yegor

AU - Lyubashov, Pavel

AU - Povstyanoy, Vyacheslav

AU - Povstyaniy, Mykhailo

AU - Lebedyeva, Iryna

PY - 2018/1/1

Y1 - 2018/1/1

N2 - The title compound, C24H18N2O4S, crystallizes in the orthorhombic P212121 space group, indicating the existence of only one enantiomer with an S configuration of the chiral center in the crystal phase. The dihydropyrimidine ring adopts a twist-boat conformation while the quinone ring is slightly non-planar. In the crystal, molecules are linked by weak C-H O and C-H S hydrogen bonds and C-H interactions. In addition, a short intermolecular S N contact of 3.250 (3) Å indicates an interaction between the S atom and the -system of the thiazole ring.

AB - The title compound, C24H18N2O4S, crystallizes in the orthorhombic P212121 space group, indicating the existence of only one enantiomer with an S configuration of the chiral center in the crystal phase. The dihydropyrimidine ring adopts a twist-boat conformation while the quinone ring is slightly non-planar. In the crystal, molecules are linked by weak C-H O and C-H S hydrogen bonds and C-H interactions. In addition, a short intermolecular S N contact of 3.250 (3) Å indicates an interaction between the S atom and the -system of the thiazole ring.

KW - Crystal structure

KW - DHPM

KW - Dihydropyrimidine

KW - Dihydropyrimidine

KW - Enantiomer

UR - http://www.scopus.com/inward/record.url?scp=85048100125&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=85048100125&partnerID=8YFLogxK

U2 - 10.1107/S2056989018000117

DO - 10.1107/S2056989018000117

M3 - Article

AN - SCOPUS:85048100125

VL - 74

SP - 124

EP - 126

JO - Acta Crystallographica Section E: Crystallographic Communications

JF - Acta Crystallographica Section E: Crystallographic Communications

SN - 2056-9890

ER -