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The crystal structure of 1-(Na-trifluoracetylalanyl)-indoline

Published/Copyright: July 28, 2010
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Zeitschrift für Kristallographie - Crystalline Materials
From the journal Zeitschrift für Kristallographie - Crystalline Materials Volume 208 Issue 2

Abstract

The crystal structure of the title compound, C13H13N2F3O2, (NTFAAI hereafter) has been determined from three-dimensional X-ray diffraction data. The structure is monoclinic, C2, with a = 19.023(5), b = 7.574(2), c = 10.405(2), Å, β = 114.17(2)°, V = 1368(1) Å3 and Z = 4.

The structure was solved by direct methods and refined by full-matrix least-squares calculations to a final residual of 0.051 for 1030 observed reflections [I≥3σ(I)]. The molecule comprises an indole ring bound to a trifluoracetyl group via an alanine. Both the six- and five-membered rings are coplanar to a very good approximation, since they form a dihedral angle of 1.6(2) degrees. The trifluorocarbon group is tetrahedrally coordinated with the two carbonyl oxygens located on their peptide plane. All bond distances and angles demonstrate no significant deviations from standard values.

Published Online: 2010-7-28
Published in Print: 1993-2-1

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Articles in the same Issue

  1. Calculation of electrostatic potentials from multipole charge densities
  2. The crystal structure of 1-(Na-trifluoracetylalanyl)-indoline
  3. Crystal structure of triphenylphosphine oxide oxalic acide benzene
  4. Incommensurate/commensurate phase transition of NbTe4
  5. Materials with layered structures IX. The structure of (Mn0.6Ti0.4)(Ga1.6Mn0.4)S4
  6. Laue and Patterson symmetry in the complex case
  7. Crystal structure of GeI4 at 100 K and 297 K
  8. Redetermination of the structure of tetrakis(acetonitrilo)silver(I) perchlorate at 173 K
  9. Optical activity in potassium trihydrogen di(cis-4-cyclohexene-1,2-dicarboxylate)dihydrate (point group [unk]2m)
  10. Crystal structure of 2S,4S-2,4-carboxymethyl-5,5-dimethyl-1,3-thiazolidine
  11. Crystal structure of (1s)-4,7,11,11,12,12-hexamethyl-1,2,3,4,7,8,9,10-octahydro-1r,4c;7t,10t-dimethano-dibenzoc[c;e]-1,2,3-trithiepin, C20H28S3
  12. Crystal structure of bi-(7,7,7′,7′-tetramethyl 2,2′[bi]bicyclo[2.2.1]heptylidenyl-3-thione)-3′,3′-disulfide, C40H56S4
  13. Crystal structure of ter(2-amino-5-nitropyridinium) hexachloroindate, (C5H6N3O6)3(InCl6)
  14. Crystal structure of dimethylaminopyridinium-L-monohydrogentartrate dihydrate, (C7H11N2)(C4H5O6)(H2O)2
  15. Crystal structure of dimethylammonium stilbazolium-N-hydroxide bis(dihydrogenphosphate)(trihydrogenphosphate) dihydrate, (C15H18N2O)(H2PO4)2(H3PO4)(H2O)2
  16. Crystal structure of potassium salt of 4,5-dinitroimidazole, KC3N2H(NO2)2
  17. Crystal structure of 5R,7S,9S,10-tetrahydroxy-7,9-di-O-isopropylidene-8S-methyl-3-methoxy dec-2Z-enoic acid 1,5-lactone, (C4H3O2)(CH3)2(CH2OH)(CH3)(CH2)(C5H4O)OO(CH3)
  18. Crystal structure of trans-(benzenethiolato)-chlorobis(triphenylphosphine)palladium(II), Pd(SC6H5)(P(C6H5)3)2Cl
  19. Crystal structure of dimethylammoniumtrichlorocuprate, (CH3)2NH2(CuCl3)
  20. Crystal structure of bis(4-methoxypyridine-N-oxide)dichlorocopper, (C6NO2H7)2(CuCl2)
  21. Crystal structure of 3-ammonium propionic acid monohydrogen-phosphite, (H3NC2H4COOH)(HPO3H)
  22. Crystal structure of oxazol-5(4H)-one from Nα-para-bromobenzoyl-Cα-methyl-D-leucyl-Cα-methyl-D-leucyl-Cα-methyl-D-leucine, C28H32BrN3O4
  23. Crystal structure of 7-(1-hydroxy-1,2,2-trimethylpropyl)-6,14-etheno-6,7,8,14-tetrahydrothebaine, thevinol, C27H37NO4
  24. Crystal structure of 17-cyano-7-(1-hydroxy-1,2,2-trimethylpropyl)-6,14-etheno-6,7,8,14-tetrahydro-17-northebaine, cyanothevinol, C27H34N2O4
  25. Crystal structure of 6′-tert-butyl-2,2′-dihydroxy-1,1′-binaphthalene-3-carboxylate clathrate with acetone, (C24H25O4)3C3H6O
  26. Crystal structure of 1-(4-methyl-phenyl)-3-methyl-4-phenyl-1-aza-1,3-butadiene, C17H17N
  27. Crystal structure of 1,2,3,4-tetraphenyl-1,4-diaza-1,3-butadiene, C26H20N2
  28. Crystal structure of N-[2,2,2-trifluoro-l-(4′-hydroxyphenyl)ethyl]-N-phenyl-benzamide, (C6H5)CN(C6H5)OCH(CF3)(C6H4OH)
  29. Crystal structure of exo-1-(4-pyridyl)-1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalene, (C10H10)CH(C5H4N)
  30. Crystal structure of neodymium tetracyano-palladate(II) 12-hydrate, Nd2(Pd(CN)4)3(H2O)12
  31. Crystal structure of europium tetracyano-palladate(II) 12-hydrate, Eu2(Pd(CN)4)3(H2O)12
  32. Crystal structure of (biphenylato-C2,C2′-(bipyridine-N,N′)palladium(II), (C12H8)Pd(C10N2H8)
  33. Crystal structure of (biphenylato-C2,C2′)-((4,4′-dichloro)bipyridine-N,N′)platinum(II), (C12H8)Pt(C10H6N2Cl2)
  34. Crystal structure of chloro(diethylsulfido)-((2′-thienyl)pyridinato-N,C3′)platinum(II), PtClS(C2H5)2(C5H4N)(C4H2S)
  35. Crystal structure of di-μ-chloro-bis(2-phenylpyridinato-C2,N′-palladium(II)), ((C11H8N)PdCl)2
  36. Crystal structure of (biphenylato-C2,C2′)-((4,4′-dimethyl)bipyridine-N,N′)platinum(II)dichloromethane, (C12H8)Pt(C10H6N2(CH3)2)CH2Cl2
  37. Crystal structure of trimethylammonium triiodomercurate, (CH3)3NHHgI3
  38. Crystal structure of bis(diisopropylamino)-phosphine azide, ((C3H7)2N)2P(N3)
  39. Crystal structure of 4,5,6-tris(dimethylamino)-1,2,3-triazine, (N3C3)N(CH3)2N(CH3)2N(CH3)2
  40. Crystal structure of 4-methyl-N-(2-methy-l6-methoxy-8-quinolyl)benzenesulphonamide, C18H18N2O3S
  41. Crystal structure of tetraethylammonium perchlorate, N(C2H5)4ClO4
  42. Crystal structure of anti-(Z)-bisfenchylidene, C20H32
  43. Crystal structure of bis(triphenylphosphane)-iminium chloride, toluene adduct, (C6H5)3PNP(C6H5)3Cl(C7H8)0.5
  44. Crystal structure of tetraphenylphosphonium tetrachloro-oxo-tetrahydrofurane-tungstate(V), P(C6H5)4(WOCl4(OC4H8))
  45. Crystal structure of di-μ-methylphenyl-phosphanido-bis(tetracarbonylrhenium), (P(CH3)(C6H5))2(Re(CO)4)2
  46. Crystal structure of di-μ-ethylphenyl-phosphanido-bis(tetracarbonylrhenium), (P(C2H5)(C6H5))2(Re(CO)4)2
  47. Crystal structure of μ-oxo-bis(chlorohafnocene), ((C5H5)2HfCl)2O
  48. Crystal structure of 1,2,3-tri-tert-butyl-1,2,3-triphosphetan-4-one, ((CH3)3C)3P3CO
  49. Crystal structure of 1,8-diphthaliso-imidonaphthalene, C26H14N2O4
  50. Crystal structure of hetisinone hydrate, C20H27NO4
  51. Crystal structure of tetra-n-butylammonium bis(pentafluorophenyl)gold(I), C28H36AuF10N
  52. Crystal structure of 4-(Z-α,β-dichlorvinyl)-7-methyl-[2.2]paracyclophane, C19H18Cl2
  53. Crystal structure of (μ-p-chlorophenylselenolato)-bis(triphenylphosphinegold(I)) hexafluoroantimonate, ClC6H4Se(AuP(C6H5)3)2(SbF6)
  54. Crystal structure of 1,4-dimethyl-2,3-diphenyl-1,4,3,2-diazadiphospholidin-5-one-2-oxide, C15H16N2O2P2
  55. Crystal structure of tetra-n-butylammonium trans-dichlorobis(pentafluorophenyl)aurate(III), (C4H9)4N(Cl2Au(C6F5)2)
  56. Crystal structure of 2-butylammonium monohydrogen-phosphite, (H3NC4H9)(HPO3H)
  57. Crystal structure of dodecachlorooctahedrohexamolybdenum, Mo6Cl12
  58. Crystal structure of caesium titanium tribromide, CsTiBr3
  59. Crystal structure of sodium silver gallium (36/7/73), Na36Ag7Ga73
  60. Crystal structure of cobalt ultraphosphate, CoP4O11
  61. Crystal structure of ammonium triiodocadmate monohydrate, NH4CdI3(H2O)
  62. Crystal structure of germanium tetraindium tetrasulfide, GeIn4S4 and germanium tetraindium tetraselenide, GeIn4Se4
  63. Crystal structure of holmium cobalt indium (6/2/1), Ho6Co2+xIn1−x, x=0.135
  64. MOLDRAW: Molecular graphics on a personal computer
  65. Errata zum Supplement Issue No. 7, 10. — 12. März 1993 in Bochum
https://doi.org/10.1524/zkri.1993.208.Part-2.175

Articles in the same Issue

  1. Calculation of electrostatic potentials from multipole charge densities
  2. The crystal structure of 1-(Na-trifluoracetylalanyl)-indoline
  3. Crystal structure of triphenylphosphine oxide oxalic acide benzene
  4. Incommensurate/commensurate phase transition of NbTe4
  5. Materials with layered structures IX. The structure of (Mn0.6Ti0.4)(Ga1.6Mn0.4)S4
  6. Laue and Patterson symmetry in the complex case
  7. Crystal structure of GeI4 at 100 K and 297 K
  8. Redetermination of the structure of tetrakis(acetonitrilo)silver(I) perchlorate at 173 K
  9. Optical activity in potassium trihydrogen di(cis-4-cyclohexene-1,2-dicarboxylate)dihydrate (point group [unk]2m)
  10. Crystal structure of 2S,4S-2,4-carboxymethyl-5,5-dimethyl-1,3-thiazolidine
  11. Crystal structure of (1s)-4,7,11,11,12,12-hexamethyl-1,2,3,4,7,8,9,10-octahydro-1r,4c;7t,10t-dimethano-dibenzoc[c;e]-1,2,3-trithiepin, C20H28S3
  12. Crystal structure of bi-(7,7,7′,7′-tetramethyl 2,2′[bi]bicyclo[2.2.1]heptylidenyl-3-thione)-3′,3′-disulfide, C40H56S4
  13. Crystal structure of ter(2-amino-5-nitropyridinium) hexachloroindate, (C5H6N3O6)3(InCl6)
  14. Crystal structure of dimethylaminopyridinium-L-monohydrogentartrate dihydrate, (C7H11N2)(C4H5O6)(H2O)2
  15. Crystal structure of dimethylammonium stilbazolium-N-hydroxide bis(dihydrogenphosphate)(trihydrogenphosphate) dihydrate, (C15H18N2O)(H2PO4)2(H3PO4)(H2O)2
  16. Crystal structure of potassium salt of 4,5-dinitroimidazole, KC3N2H(NO2)2
  17. Crystal structure of 5R,7S,9S,10-tetrahydroxy-7,9-di-O-isopropylidene-8S-methyl-3-methoxy dec-2Z-enoic acid 1,5-lactone, (C4H3O2)(CH3)2(CH2OH)(CH3)(CH2)(C5H4O)OO(CH3)
  18. Crystal structure of trans-(benzenethiolato)-chlorobis(triphenylphosphine)palladium(II), Pd(SC6H5)(P(C6H5)3)2Cl
  19. Crystal structure of dimethylammoniumtrichlorocuprate, (CH3)2NH2(CuCl3)
  20. Crystal structure of bis(4-methoxypyridine-N-oxide)dichlorocopper, (C6NO2H7)2(CuCl2)
  21. Crystal structure of 3-ammonium propionic acid monohydrogen-phosphite, (H3NC2H4COOH)(HPO3H)
  22. Crystal structure of oxazol-5(4H)-one from Nα-para-bromobenzoyl-Cα-methyl-D-leucyl-Cα-methyl-D-leucyl-Cα-methyl-D-leucine, C28H32BrN3O4
  23. Crystal structure of 7-(1-hydroxy-1,2,2-trimethylpropyl)-6,14-etheno-6,7,8,14-tetrahydrothebaine, thevinol, C27H37NO4
  24. Crystal structure of 17-cyano-7-(1-hydroxy-1,2,2-trimethylpropyl)-6,14-etheno-6,7,8,14-tetrahydro-17-northebaine, cyanothevinol, C27H34N2O4
  25. Crystal structure of 6′-tert-butyl-2,2′-dihydroxy-1,1′-binaphthalene-3-carboxylate clathrate with acetone, (C24H25O4)3C3H6O
  26. Crystal structure of 1-(4-methyl-phenyl)-3-methyl-4-phenyl-1-aza-1,3-butadiene, C17H17N
  27. Crystal structure of 1,2,3,4-tetraphenyl-1,4-diaza-1,3-butadiene, C26H20N2
  28. Crystal structure of N-[2,2,2-trifluoro-l-(4′-hydroxyphenyl)ethyl]-N-phenyl-benzamide, (C6H5)CN(C6H5)OCH(CF3)(C6H4OH)
  29. Crystal structure of exo-1-(4-pyridyl)-1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalene, (C10H10)CH(C5H4N)
  30. Crystal structure of neodymium tetracyano-palladate(II) 12-hydrate, Nd2(Pd(CN)4)3(H2O)12
  31. Crystal structure of europium tetracyano-palladate(II) 12-hydrate, Eu2(Pd(CN)4)3(H2O)12
  32. Crystal structure of (biphenylato-C2,C2′-(bipyridine-N,N′)palladium(II), (C12H8)Pd(C10N2H8)
  33. Crystal structure of (biphenylato-C2,C2′)-((4,4′-dichloro)bipyridine-N,N′)platinum(II), (C12H8)Pt(C10H6N2Cl2)
  34. Crystal structure of chloro(diethylsulfido)-((2′-thienyl)pyridinato-N,C3′)platinum(II), PtClS(C2H5)2(C5H4N)(C4H2S)
  35. Crystal structure of di-μ-chloro-bis(2-phenylpyridinato-C2,N′-palladium(II)), ((C11H8N)PdCl)2
  36. Crystal structure of (biphenylato-C2,C2′)-((4,4′-dimethyl)bipyridine-N,N′)platinum(II)dichloromethane, (C12H8)Pt(C10H6N2(CH3)2)CH2Cl2
  37. Crystal structure of trimethylammonium triiodomercurate, (CH3)3NHHgI3
  38. Crystal structure of bis(diisopropylamino)-phosphine azide, ((C3H7)2N)2P(N3)
  39. Crystal structure of 4,5,6-tris(dimethylamino)-1,2,3-triazine, (N3C3)N(CH3)2N(CH3)2N(CH3)2
  40. Crystal structure of 4-methyl-N-(2-methy-l6-methoxy-8-quinolyl)benzenesulphonamide, C18H18N2O3S
  41. Crystal structure of tetraethylammonium perchlorate, N(C2H5)4ClO4
  42. Crystal structure of anti-(Z)-bisfenchylidene, C20H32
  43. Crystal structure of bis(triphenylphosphane)-iminium chloride, toluene adduct, (C6H5)3PNP(C6H5)3Cl(C7H8)0.5
  44. Crystal structure of tetraphenylphosphonium tetrachloro-oxo-tetrahydrofurane-tungstate(V), P(C6H5)4(WOCl4(OC4H8))
  45. Crystal structure of di-μ-methylphenyl-phosphanido-bis(tetracarbonylrhenium), (P(CH3)(C6H5))2(Re(CO)4)2
  46. Crystal structure of di-μ-ethylphenyl-phosphanido-bis(tetracarbonylrhenium), (P(C2H5)(C6H5))2(Re(CO)4)2
  47. Crystal structure of μ-oxo-bis(chlorohafnocene), ((C5H5)2HfCl)2O
  48. Crystal structure of 1,2,3-tri-tert-butyl-1,2,3-triphosphetan-4-one, ((CH3)3C)3P3CO
  49. Crystal structure of 1,8-diphthaliso-imidonaphthalene, C26H14N2O4
  50. Crystal structure of hetisinone hydrate, C20H27NO4
  51. Crystal structure of tetra-n-butylammonium bis(pentafluorophenyl)gold(I), C28H36AuF10N
  52. Crystal structure of 4-(Z-α,β-dichlorvinyl)-7-methyl-[2.2]paracyclophane, C19H18Cl2
  53. Crystal structure of (μ-p-chlorophenylselenolato)-bis(triphenylphosphinegold(I)) hexafluoroantimonate, ClC6H4Se(AuP(C6H5)3)2(SbF6)
  54. Crystal structure of 1,4-dimethyl-2,3-diphenyl-1,4,3,2-diazadiphospholidin-5-one-2-oxide, C15H16N2O2P2
  55. Crystal structure of tetra-n-butylammonium trans-dichlorobis(pentafluorophenyl)aurate(III), (C4H9)4N(Cl2Au(C6F5)2)
  56. Crystal structure of 2-butylammonium monohydrogen-phosphite, (H3NC4H9)(HPO3H)
  57. Crystal structure of dodecachlorooctahedrohexamolybdenum, Mo6Cl12
  58. Crystal structure of caesium titanium tribromide, CsTiBr3
  59. Crystal structure of sodium silver gallium (36/7/73), Na36Ag7Ga73
  60. Crystal structure of cobalt ultraphosphate, CoP4O11
  61. Crystal structure of ammonium triiodocadmate monohydrate, NH4CdI3(H2O)
  62. Crystal structure of germanium tetraindium tetrasulfide, GeIn4S4 and germanium tetraindium tetraselenide, GeIn4Se4
  63. Crystal structure of holmium cobalt indium (6/2/1), Ho6Co2+xIn1−x, x=0.135
  64. MOLDRAW: Molecular graphics on a personal computer
  65. Errata zum Supplement Issue No. 7, 10. — 12. März 1993 in Bochum
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