Home Crystal and molecular structure of 5-(3-methylbut-2-enyloxy)-7-methoxy-8-(3-methylbut-2-enyl)-2 H-[1]-benzopyran-2-one (Sesibiricin)
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Crystal and molecular structure of 5-(3-methylbut-2-enyloxy)-7-methoxy-8-(3-methylbut-2-enyl)-2 H-[1]-benzopyran-2-one (Sesibiricin)

Published/Copyright: July 28, 2010
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Zeitschrift für Kristallographie - Crystalline Materials
From the journal Zeitschrift für Kristallographie - Crystalline Materials Volume 209 Issue 11

Abstract

The crystal and molecular structure of Sesibiricin (C20H24O4) has been determined from three dimensional X-ray diffraction data. The gross structure (P21 with a = 13.142(2) Å; b = 7.552(3) Å; c = 18.364(3) Å; β = 91.53(4)°, Z = 4, V = 1821.9(8) Å3, d0 = 1.198 Mgm−3) was determined from 4477 observed reflections (R-index = 0.063). The basic 2 H-[1]-benzopyran-2-one is planar. The side chains at C(5) and C(8) are nearly planar and are inclined to the flat ring system of the molecule. The two asymmetric molecules indicate different conformations in the two side chains. These are interconnected by a weak hydrogen bond (d(C1A … O2B) = 3.48(1) Å). The closest contact between the symmetry related molecules is d(C12B … O2A) = 3.48 Å.

Published Online: 2010-7-28
Published in Print: 1994-11-1

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Articles in the same Issue

  1. Thermal dependence of the Pb5Al3F19 lattice parameters in phases I–IV
  2. Crystal growth and crystal structure of arsenicv ditelluroidide semihydrate, AsTe2I · 0.5 H2O
  3. Submicroscopic twinning and chemical inhomogeneity of ilvaite, a mixed-valence iron sorosilicate HCaFe22 + Fe3 + Si2O9
  4. Substitutional disorder in the system Mg1 − xCu2 + xO3: Cu2+ in a compressed octahedral environment
  5. A crystal structure determination of HgC2O4 from synchrotron X-ray and neutron powder diffraction data
  6. Crystal and molecular structure of 5-(3-methylbut-2-enyloxy)-7-methoxy-8-(3-methylbut-2-enyl)-2 H-[1]-benzopyran-2-one (Sesibiricin)
  7. Structural studies on oxalatotriorganostannates. Crystal structure of trimethylsulfonium catena-O,O′-oxalatotriphenylstannate
  8. Crystal and molecular structures of P,P-dicyclohexyl-N-methyl-phosphinylthioformamide, P,P-dicyclohexyl-N-phenyl-phosphinylthioformamide, P,P-dicyclohexyl-N-methyl-thiophosphinylthioformamide, and P,P-dicyclohexyl-N-phenyl-thiophosphinylthioformamide
  9. Two organically-templated vanadium arsenate phases: V4As6O30H6 · 2 N2C6H14 · 4 H2O and V4As6O30H8 · 2 N(CH3)4 · 5.33 H2O
  10. Crystal structure of manganese ultraphosphate, MnP4O11
  11. Crystal structure of c-6-[N,N-bis(trimethylsilyl)amino]-5,6-dihydro-r-4-[(1′-hydroxy-1′-methyl)ethyl]-t-5-methyl-3-phenyl-4H-1,2-oxazine, ONC(CH)(CH)(CH)(C6H5)C(OH)(CH3)2(CH3)NSi(CH3)3Si(CH3)3
  12. Crystal structure of 2-methyl-6-phenyl-pyridin-3-al, (C6H5)C(CH)2CCNCHO(CH3)
  13. Crystal structure of 3-O-(5,6-dihydro-5-methyl-3-phenyl-4H-1,2-oxazin-6-yl)-1,2:5,6-di-O-isopropyliden-α-D-glucofuranose, O(CH)4OCO(CH3)2CHCH2OCO(CH3)2OCHCHCH2CNO(CH3)(C6H5)
  14. Crystal structure of 1,3-bis(3-trifluoromethylphenyl)-2,2,4,4-tetramethyl-1,3-diaza-2,4-disila-cyclobutane, (F3C(C6H4)NSi(CH3)2)2
  15. Crystal structure of 5-ethyl-2′-deoxyuridine, C11H16N2O5
  16. Crystal structure of 3,6-dimethyl-5-methylthio-thieno[3,2-b]-thiophen-2-carbaldehyde, C10H10OS3
  17. Crystal structure of anti-5,13-di-tert-butyl-8,16-difluoro-[2.2]metacyclophane, C24H30F2
  18. Crystal structure of 1-(3,5-difluoro-2,6-di(trans-stilbenyl)phenyl)-2-phenyl-diazene, (C6H5)NN(C6F2H(C(C6H5)CH(C6H5))2)
  19. Crystal structure of di(bis(1,1-dimethylethyl)phosphinic amide) hydrobromide,((C4H9)2(NH2)PO)2(HBr)
  20. Crystal structure of bis(lignocainium) dioxotrichloronitratouranate(IV), (C14H22ON2)2(UO2(NO3)Cl3)
  21. Crystal structure of bis(lignocainium) tetrathiocyanatocobaltate(II) hydrate, (C14H22ON2)2 Co(NCS)4 (H2O)
  22. Crystal structure of bis(lignocainium) tetrabromocuprate(II), (C14H22ON2)2CuBr4
  23. Crystal structure of terbium chromium aluminium, Tb6Cr4+xAl43−x (x = 1.6), erbium chromium aluminium, Er6Cr4+xAl43−x (x = 1.96), holmium chromium aluminium, Ho6Cr4+xAl43−x (x = 1.6), and lutetium chromium aluminium, Lu6Cr4+xAl43−X (x = 2.76)
https://doi.org/10.1524/zkri.1994.209.11.878

Articles in the same Issue

  1. Thermal dependence of the Pb5Al3F19 lattice parameters in phases I–IV
  2. Crystal growth and crystal structure of arsenicv ditelluroidide semihydrate, AsTe2I · 0.5 H2O
  3. Submicroscopic twinning and chemical inhomogeneity of ilvaite, a mixed-valence iron sorosilicate HCaFe22 + Fe3 + Si2O9
  4. Substitutional disorder in the system Mg1 − xCu2 + xO3: Cu2+ in a compressed octahedral environment
  5. A crystal structure determination of HgC2O4 from synchrotron X-ray and neutron powder diffraction data
  6. Crystal and molecular structure of 5-(3-methylbut-2-enyloxy)-7-methoxy-8-(3-methylbut-2-enyl)-2 H-[1]-benzopyran-2-one (Sesibiricin)
  7. Structural studies on oxalatotriorganostannates. Crystal structure of trimethylsulfonium catena-O,O′-oxalatotriphenylstannate
  8. Crystal and molecular structures of P,P-dicyclohexyl-N-methyl-phosphinylthioformamide, P,P-dicyclohexyl-N-phenyl-phosphinylthioformamide, P,P-dicyclohexyl-N-methyl-thiophosphinylthioformamide, and P,P-dicyclohexyl-N-phenyl-thiophosphinylthioformamide
  9. Two organically-templated vanadium arsenate phases: V4As6O30H6 · 2 N2C6H14 · 4 H2O and V4As6O30H8 · 2 N(CH3)4 · 5.33 H2O
  10. Crystal structure of manganese ultraphosphate, MnP4O11
  11. Crystal structure of c-6-[N,N-bis(trimethylsilyl)amino]-5,6-dihydro-r-4-[(1′-hydroxy-1′-methyl)ethyl]-t-5-methyl-3-phenyl-4H-1,2-oxazine, ONC(CH)(CH)(CH)(C6H5)C(OH)(CH3)2(CH3)NSi(CH3)3Si(CH3)3
  12. Crystal structure of 2-methyl-6-phenyl-pyridin-3-al, (C6H5)C(CH)2CCNCHO(CH3)
  13. Crystal structure of 3-O-(5,6-dihydro-5-methyl-3-phenyl-4H-1,2-oxazin-6-yl)-1,2:5,6-di-O-isopropyliden-α-D-glucofuranose, O(CH)4OCO(CH3)2CHCH2OCO(CH3)2OCHCHCH2CNO(CH3)(C6H5)
  14. Crystal structure of 1,3-bis(3-trifluoromethylphenyl)-2,2,4,4-tetramethyl-1,3-diaza-2,4-disila-cyclobutane, (F3C(C6H4)NSi(CH3)2)2
  15. Crystal structure of 5-ethyl-2′-deoxyuridine, C11H16N2O5
  16. Crystal structure of 3,6-dimethyl-5-methylthio-thieno[3,2-b]-thiophen-2-carbaldehyde, C10H10OS3
  17. Crystal structure of anti-5,13-di-tert-butyl-8,16-difluoro-[2.2]metacyclophane, C24H30F2
  18. Crystal structure of 1-(3,5-difluoro-2,6-di(trans-stilbenyl)phenyl)-2-phenyl-diazene, (C6H5)NN(C6F2H(C(C6H5)CH(C6H5))2)
  19. Crystal structure of di(bis(1,1-dimethylethyl)phosphinic amide) hydrobromide,((C4H9)2(NH2)PO)2(HBr)
  20. Crystal structure of bis(lignocainium) dioxotrichloronitratouranate(IV), (C14H22ON2)2(UO2(NO3)Cl3)
  21. Crystal structure of bis(lignocainium) tetrathiocyanatocobaltate(II) hydrate, (C14H22ON2)2 Co(NCS)4 (H2O)
  22. Crystal structure of bis(lignocainium) tetrabromocuprate(II), (C14H22ON2)2CuBr4
  23. Crystal structure of terbium chromium aluminium, Tb6Cr4+xAl43−x (x = 1.6), erbium chromium aluminium, Er6Cr4+xAl43−x (x = 1.96), holmium chromium aluminium, Ho6Cr4+xAl43−x (x = 1.6), and lutetium chromium aluminium, Lu6Cr4+xAl43−X (x = 2.76)
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