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Molecular and crystal structures of two terminally-blocked Ac5c homo-oligopeptides

Published/Copyright: July 28, 2010
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Zeitschrift für Kristallographie - Crystalline Materials
From the journal Zeitschrift für Kristallographie - Crystalline Materials Volume 211 Issue 9

Abstract

The molecular and crystal structures of the terminally blocked homo-tri- and homo-pentapeptides from 1-amino-1-cyclopentane-carboxylic acid, Z-(Ac5c)3-OtBu (1) and Z-(Ac5c)5-OtBu (2), were determined by X-ray diffraction. The two compounds exhibit the following parameters: (1) orthorhombic, P212121, a = 11.539(7) Å, b = 16.185(2) Å, c = 30.925(4) Å and Z = 8; (2) triclinic, P[unk], a = 10.835(5) Å, b = 11.631(9) Å, c = 18.212(5) Å, α = 92.20(7)°, β = 94.79(10)°, γ = 107.6(3)° and Z = 2. The crystal structures were solved by direct methods. The least-squares refinements led to R values of 0.080 and 0.060 for 4061 and 4018 reflections with I ≥ 2σ(I) (according to the SHELXL-93 computer program weighting scheme) for (1) and I ≥ 3σ(I) (Structure Determination Programs, SDP crystallographic package weighting scheme) for (2), respectively. The two independent molecules, A and B, in the asymmetric unit of the tripeptide (1) are folded into a type-I/III and a type-I′/β-bend conformation, respectively, each stabilized by an intramolecular C=O…H–N H-bond. The pentapeptide molecules adopt a 310-helical structure, stabilized by three consecutive, intramolecularly H-bonded type-III (III′) β-bend conformations.

Published Online: 2010-7-28
Published in Print: 1996-9-1

© 2015 Oldenbourg Wissenschaftsverlag GmbH, Rosenheimer Str. 145, 81671 München

Articles in the same Issue

  1. A vacuum chamber for low background diffraction experiments
  2. The effect of atomic heterogeneity on the exact probability distribution of structure factors – crystals of space group P[unk]
  3. Crystal structure of Fe2O(SeO3)2, a new oxoselenite compound with ferric iron in distorted tetrahedral coordination
  4. Structure of strontium germanate α′L-Sr2GeO4
  5. Phase transformation of propyl-[3-(pentamethyldisiloxanyl)propyl]dimethylammonium bromide
  6. Molecular and crystal structures of two terminally-blocked Ac5c homo-oligopeptides
  7. Crystal structure of 4-acetyl-l-(4′-fluorophenyl)-5-methyl-2,3-dihydro-1H-pyrrole-2,3-dione verifies the scheme of synthesis
  8. Crystal structure of trisodiumtetraselenodiferrate, Na3Fe2Se4
  9. Crystal structures of europium digold pentagallide, EuAu2Ga5 and strontium digold pentagallide, SrAu2Ga5
  10. Crystal structure of natrium trigallium pentatelluride, NaGa3Te5
  11. Crystal structure of potassiumamalgam, KHg
  12. Crystal structure of silver tetrafluoroborate monohydrate, Ag(BF4)(H2O)
  13. Crystal structure of tribarium triarsenidoindate, Ba3InAs3
  14. Crystal structure of sodium magnesium arsenide, NaMgAs
  15. Crystal structure of tribarium tetragermanide monoacetylide, Ba3Ge4C2
  16. Crystal structure of lithium beryllium nitride, LiBeN
  17. Crystal structure of rubidium tetrathioantimonate(V), Rb3SbS4
  18. Crystal structure of 10,13-methano-4H-pyrido[2,1-b]pyrrolo-[4,3,2-f,g][3] benzazocine-6,7,10,12a-tetrahydro-7-oxo-13(9H)-carboxylic acid methylester, C19H18N2O3
  19. Crystal structure of 2-aminobenzonitrile, C7H6N2
  20. Crystal structure of N-benzyl-2-(ammoniummethyl)pyridine bromide, C13H15BrN2
  21. Crystal structure of tetrakis(diphenylamido)zirconium(IV), C48H40N4Zr
  22. Crystal structure of bis[(l,2,3,4,5-pentamethylcyclopentadienyl)-(l,2-methylene-3,4,5-trimethylcyclopentadiene)zirconium(IV)], C40H56Zr2
  23. Crystal structure of [(1α,2β,3α,4α,5α,6α,7β,8α)-4,5-dichloro-tetracyclo-[6.2.1.02,7.03,6]undec-9-ene-3,6-diyl]bismethanol chloroform solvate, C13H16Cl2O2 · 1/3 CHCl3
  24. Crystal structure of 10-tert-butoxy-4,6-bis(trifluoromethyl)-5-oxapentacyclo-[5.3.0.02,60.3,9.04,8]decane, C15H16F6O2
  25. Crystal structure of 1-(3,4-dimethoxyphenyl)methyl-6,7-dimethoxy isoquinoline (papaverine), C20H21NO4
  26. Crystal structure of 1-[(3,4-dimethoxyphenyl)methoxy]methyl-6,7-dimethoxy isoquinoline (setigerine), C21H23NO5
  27. Crystal structure of 3-methoxy-5-dichloromethylene-2-furanone, C6H4Cl2O3
  28. Crystal structure of methoxo-oxo[benzoylaceton-salicylhydrazonato(2-)] vanadium(V), C18H17N2O5V
  29. Crystal structure of di(bis(triphenylphosphine)iminium) tetrachloromanganate(II) dimethylformamide, {[(C6H5)3P]2N}2MnCl4·(CH3)2NCHO
  30. Crystal structure of bis-[3,5,5-trimethyl-(1,2)dioxolan-3-yl]-peroxide, C12H22O6
  31. Crystal structure of N-tert-butylbenzamidine-trichloroaluminium, C11H16AlCl3N2
  32. Crystal structure of 3-phenyl-10-oxo-10H-[1]benzopyrano[2,3-e]1,2,4-triazine, C(CH)4COC2CON2CN(C6H5)
  33. Crystal structure of 2-amino-3-ethoxy-1-methyl-4-phenyl-6,7-dihydro-5H-[2]pyrindinium-tetrafluoroborate, NC5(CH2)3(C6H5)NH2CH3OCH2CH3BF4
  34. Crystal structure of 3,3′,6,6′-tetraphenyl-5,5′-bi-1,2,4-triazine, [NNC(C6H5)NCC(C6H5)]2
https://doi.org/10.1524/zkri.1996.211.9.616

Articles in the same Issue

  1. A vacuum chamber for low background diffraction experiments
  2. The effect of atomic heterogeneity on the exact probability distribution of structure factors – crystals of space group P[unk]
  3. Crystal structure of Fe2O(SeO3)2, a new oxoselenite compound with ferric iron in distorted tetrahedral coordination
  4. Structure of strontium germanate α′L-Sr2GeO4
  5. Phase transformation of propyl-[3-(pentamethyldisiloxanyl)propyl]dimethylammonium bromide
  6. Molecular and crystal structures of two terminally-blocked Ac5c homo-oligopeptides
  7. Crystal structure of 4-acetyl-l-(4′-fluorophenyl)-5-methyl-2,3-dihydro-1H-pyrrole-2,3-dione verifies the scheme of synthesis
  8. Crystal structure of trisodiumtetraselenodiferrate, Na3Fe2Se4
  9. Crystal structures of europium digold pentagallide, EuAu2Ga5 and strontium digold pentagallide, SrAu2Ga5
  10. Crystal structure of natrium trigallium pentatelluride, NaGa3Te5
  11. Crystal structure of potassiumamalgam, KHg
  12. Crystal structure of silver tetrafluoroborate monohydrate, Ag(BF4)(H2O)
  13. Crystal structure of tribarium triarsenidoindate, Ba3InAs3
  14. Crystal structure of sodium magnesium arsenide, NaMgAs
  15. Crystal structure of tribarium tetragermanide monoacetylide, Ba3Ge4C2
  16. Crystal structure of lithium beryllium nitride, LiBeN
  17. Crystal structure of rubidium tetrathioantimonate(V), Rb3SbS4
  18. Crystal structure of 10,13-methano-4H-pyrido[2,1-b]pyrrolo-[4,3,2-f,g][3] benzazocine-6,7,10,12a-tetrahydro-7-oxo-13(9H)-carboxylic acid methylester, C19H18N2O3
  19. Crystal structure of 2-aminobenzonitrile, C7H6N2
  20. Crystal structure of N-benzyl-2-(ammoniummethyl)pyridine bromide, C13H15BrN2
  21. Crystal structure of tetrakis(diphenylamido)zirconium(IV), C48H40N4Zr
  22. Crystal structure of bis[(l,2,3,4,5-pentamethylcyclopentadienyl)-(l,2-methylene-3,4,5-trimethylcyclopentadiene)zirconium(IV)], C40H56Zr2
  23. Crystal structure of [(1α,2β,3α,4α,5α,6α,7β,8α)-4,5-dichloro-tetracyclo-[6.2.1.02,7.03,6]undec-9-ene-3,6-diyl]bismethanol chloroform solvate, C13H16Cl2O2 · 1/3 CHCl3
  24. Crystal structure of 10-tert-butoxy-4,6-bis(trifluoromethyl)-5-oxapentacyclo-[5.3.0.02,60.3,9.04,8]decane, C15H16F6O2
  25. Crystal structure of 1-(3,4-dimethoxyphenyl)methyl-6,7-dimethoxy isoquinoline (papaverine), C20H21NO4
  26. Crystal structure of 1-[(3,4-dimethoxyphenyl)methoxy]methyl-6,7-dimethoxy isoquinoline (setigerine), C21H23NO5
  27. Crystal structure of 3-methoxy-5-dichloromethylene-2-furanone, C6H4Cl2O3
  28. Crystal structure of methoxo-oxo[benzoylaceton-salicylhydrazonato(2-)] vanadium(V), C18H17N2O5V
  29. Crystal structure of di(bis(triphenylphosphine)iminium) tetrachloromanganate(II) dimethylformamide, {[(C6H5)3P]2N}2MnCl4·(CH3)2NCHO
  30. Crystal structure of bis-[3,5,5-trimethyl-(1,2)dioxolan-3-yl]-peroxide, C12H22O6
  31. Crystal structure of N-tert-butylbenzamidine-trichloroaluminium, C11H16AlCl3N2
  32. Crystal structure of 3-phenyl-10-oxo-10H-[1]benzopyrano[2,3-e]1,2,4-triazine, C(CH)4COC2CON2CN(C6H5)
  33. Crystal structure of 2-amino-3-ethoxy-1-methyl-4-phenyl-6,7-dihydro-5H-[2]pyrindinium-tetrafluoroborate, NC5(CH2)3(C6H5)NH2CH3OCH2CH3BF4
  34. Crystal structure of 3,3′,6,6′-tetraphenyl-5,5′-bi-1,2,4-triazine, [NNC(C6H5)NCC(C6H5)]2
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