Crystal structure of 4-azidomethyl-6-tert-butyl-2H-chromen-2-one

Nasseem El-Khatatneh, Chandra, D. Shamala, K. Shivashankar, Mukhokosi Emma Panzi, M. Mahendra*, W. T A Harrison (Editor)

*Corresponding author for this work

Research output: Contribution to journal › Article

4 Citations (Scopus)
3 Downloads (Pure)

Abstract

In the title compound, C14H15N3O2, one of the methyl C atoms of the tert-butyl group lies almost in the plane of the chromene ring system [deviation = - 0.097 (2) Å], one lies above and one lies below [deviations = 1.460 (3) and 1.006 (3) Å, respectively]. The C - C - N - N torsion angle is 142.33 (17)°. In the crystal, moelcules are linked by weak C - H⋯O hydrogen bonds to generate C(6) chains propagating in the [010] direction.

Original languageEnglish
Pages (from-to)o218-o219
Number of pages2
JournalActa Crystallographica Section E: Structure Reports Online
Volume71
Issue number4
Early online date4 Mar 2015
DOIs
Publication statusPublished - 1 Apr 2015

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Benzopyrans
Torsional stress
Hydrogen bonds
Crystal structure
deviation
Atoms
Crystals
crystal structure
torsion
hydrogen bonds
rings
crystals
atoms
Direction compound

Keywords

  • Chromene
  • Coumarin
  • Crystal structure
  • Hydrogen bonding

ASJC Scopus subject areas

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

Cite this

Crystal structure of 4-azidomethyl-6-tert-butyl-2H-chromen-2-one. / El-Khatatneh, Nasseem; Chandra; Shamala, D.; Shivashankar, K.; Panzi, Mukhokosi Emma; Mahendra, M.; Harrison, W. T A (Editor).

In: Acta Crystallographica Section E: Structure Reports Online, Vol. 71, No. 4, 01.04.2015, p. o218-o219.

Research output: Contribution to journal › Article

El-Khatatneh, N, Chandra, Shamala, D, Shivashankar, K, Panzi, ME, Mahendra, M & Harrison, WTA (ed.) 2015, 'Crystal structure of 4-azidomethyl-6-tert-butyl-2H-chromen-2-one', Acta Crystallographica Section E: Structure Reports Online, vol. 71, no. 4, pp. o218-o219. https://doi.org/10.1107/S205698901500290X
El-Khatatneh N, Chandra, Shamala D, Shivashankar K, Panzi ME, Mahendra M et al. Crystal structure of 4-azidomethyl-6-tert-butyl-2H-chromen-2-one. Acta Crystallographica Section E: Structure Reports Online. 2015 Apr 1;71(4):o218-o219. https://doi.org/10.1107/S205698901500290X
El-Khatatneh, Nasseem ; Chandra ; Shamala, D. ; Shivashankar, K. ; Panzi, Mukhokosi Emma ; Mahendra, M. ; Harrison, W. T A (Editor). / Crystal structure of 4-azidomethyl-6-tert-butyl-2H-chromen-2-one. In: Acta Crystallographica Section E: Structure Reports Online. 2015 ; Vol. 71, No. 4. pp. o218-o219.
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abstract = "In the title compound, C14H15N3O2, one of the methyl C atoms of the tert-butyl group lies almost in the plane of the chromene ring system [deviation = - 0.097 (2) {\AA}], one lies above and one lies below [deviations = 1.460 (3) and 1.006 (3) {\AA}, respectively]. The C - C - N - N torsion angle is 142.33 (17)°. In the crystal, moelcules are linked by weak C - H⋯O hydrogen bonds to generate C(6) chains propagating in the [010] direction.",
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note = "MM would like to thank UGC, New Delhi, Government of India, for the award of a project under the head F. No. 41–920/2012(SR) (dated: 25-07-2012). In addition, SD is thankful to the Council of Scientific and Industrial Research, New Delhi, India, for financial assistance [grant No. 02 (0172)/13/EMRII].",
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AU - El-Khatatneh, Nasseem

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AU - Shamala, D.

AU - Shivashankar, K.

AU - Panzi, Mukhokosi Emma

AU - Mahendra, M.

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N1 - MM would like to thank UGC, New Delhi, Government of India, for the award of a project under the head F. No. 41–920/2012(SR) (dated: 25-07-2012). In addition, SD is thankful to the Council of Scientific and Industrial Research, New Delhi, India, for financial assistance [grant No. 02 (0172)/13/EMRII].

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N2 - In the title compound, C14H15N3O2, one of the methyl C atoms of the tert-butyl group lies almost in the plane of the chromene ring system [deviation = - 0.097 (2) Å], one lies above and one lies below [deviations = 1.460 (3) and 1.006 (3) Å, respectively]. The C - C - N - N torsion angle is 142.33 (17)°. In the crystal, moelcules are linked by weak C - H⋯O hydrogen bonds to generate C(6) chains propagating in the [010] direction.

AB - In the title compound, C14H15N3O2, one of the methyl C atoms of the tert-butyl group lies almost in the plane of the chromene ring system [deviation = - 0.097 (2) Å], one lies above and one lies below [deviations = 1.460 (3) and 1.006 (3) Å, respectively]. The C - C - N - N torsion angle is 142.33 (17)°. In the crystal, moelcules are linked by weak C - H⋯O hydrogen bonds to generate C(6) chains propagating in the [010] direction.

KW - Chromene

KW - Coumarin

KW - Crystal structure

KW - Hydrogen bonding

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