Crystal structure of methyl 1-methyl-2-oxospiro[indoline-3,2′-oxirane]-3′-carboxylate

M. P. Savithri, P. S. Yuvaraj, B. S R Reddy, R. Raja, A. SubbiahPandi*, W. T A Harrison (Editor)

*Corresponding author for this work

Research output: Contribution to journalArticle

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Abstract

In the title compound, C12H11NO4, the dihedral angle between the indole ring system (r.m.s. deviation = 0.019 Å) and the oxirane ring is 88.8 (2)°. The oxirane O atom and the bridging ester O atom are in an approximate syn conformation [O - C - C - O = - 25.4 (3)°] In the crystal, inversion dimers linked by pair of C - H⋯O hydrogen bonds generate R22(8) loops, where the C - H donor group forms part of the oxirane ring. A second C - H⋯O interaction arising from one of the C - H groups of the benzene ring links the dimers into [001] double chains.

Original languageEnglish
Pages (from-to)o274-o275
Number of pages2
JournalActa Crystallographica Section E: Structure Reports Online
Volume71
Issue number5
Early online date2 Apr 2015
DOIs
Publication statusPublished - 1 May 2015

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Ethylene Oxide
Dimers
carboxylates
Crystal structure
Atoms
crystal structure
rings
Dihedral angle
Conformations
Benzene
Esters
Hydrogen bonds
dimers
Crystals
indoles
atoms
dihedral angle
esters
benzene
inversions

Keywords

  • Crystal structure
  • Ester
  • Hydrogen bonding
  • Indoline
  • Oxirane
  • Spiro compound

ASJC Scopus subject areas

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

Cite this

Crystal structure of methyl 1-methyl-2-oxospiro[indoline-3,2′-oxirane]-3′-carboxylate. / Savithri, M. P.; Yuvaraj, P. S.; Reddy, B. S R; Raja, R.; SubbiahPandi, A.; Harrison, W. T A (Editor).

In: Acta Crystallographica Section E: Structure Reports Online, Vol. 71, No. 5, 01.05.2015, p. o274-o275.

Research output: Contribution to journalArticle

Savithri, M. P. ; Yuvaraj, P. S. ; Reddy, B. S R ; Raja, R. ; SubbiahPandi, A. ; Harrison, W. T A (Editor). / Crystal structure of methyl 1-methyl-2-oxospiro[indoline-3,2′-oxirane]-3′-carboxylate. In: Acta Crystallographica Section E: Structure Reports Online. 2015 ; Vol. 71, No. 5. pp. o274-o275.
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title = "Crystal structure of methyl 1-methyl-2-oxospiro[indoline-3,2′-oxirane]-3′-carboxylate",
abstract = "In the title compound, C12H11NO4, the dihedral angle between the indole ring system (r.m.s. deviation = 0.019 {\AA}) and the oxirane ring is 88.8 (2)°. The oxirane O atom and the bridging ester O atom are in an approximate syn conformation [O - C - C - O = - 25.4 (3)°] In the crystal, inversion dimers linked by pair of C - H⋯O hydrogen bonds generate R22(8) loops, where the C - H donor group forms part of the oxirane ring. A second C - H⋯O interaction arising from one of the C - H groups of the benzene ring links the dimers into [001] double chains.",
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T1 - Crystal structure of methyl 1-methyl-2-oxospiro[indoline-3,2′-oxirane]-3′-carboxylate

AU - Savithri, M. P.

AU - Yuvaraj, P. S.

AU - Reddy, B. S R

AU - Raja, R.

AU - SubbiahPandi, A.

A2 - Harrison, W. T A

N1 - Acknowledgements The authors thank Dr Babu Vargheese, SAIF, IIT, Madras, India, for the data collection.

PY - 2015/5/1

Y1 - 2015/5/1

N2 - In the title compound, C12H11NO4, the dihedral angle between the indole ring system (r.m.s. deviation = 0.019 Å) and the oxirane ring is 88.8 (2)°. The oxirane O atom and the bridging ester O atom are in an approximate syn conformation [O - C - C - O = - 25.4 (3)°] In the crystal, inversion dimers linked by pair of C - H⋯O hydrogen bonds generate R22(8) loops, where the C - H donor group forms part of the oxirane ring. A second C - H⋯O interaction arising from one of the C - H groups of the benzene ring links the dimers into [001] double chains.

AB - In the title compound, C12H11NO4, the dihedral angle between the indole ring system (r.m.s. deviation = 0.019 Å) and the oxirane ring is 88.8 (2)°. The oxirane O atom and the bridging ester O atom are in an approximate syn conformation [O - C - C - O = - 25.4 (3)°] In the crystal, inversion dimers linked by pair of C - H⋯O hydrogen bonds generate R22(8) loops, where the C - H donor group forms part of the oxirane ring. A second C - H⋯O interaction arising from one of the C - H groups of the benzene ring links the dimers into [001] double chains.

KW - Crystal structure

KW - Ester

KW - Hydrogen bonding

KW - Indoline

KW - Oxirane

KW - Spiro compound

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