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Crystal structure of 5-(p-bromophenyl)-N,N-bis(2-chloroethyl)-2-furamide

Published/Copyright: August 25, 2010
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Zeitschrift für Kristallographie
From the journal Zeitschrift für Kristallographie Volume 192 Issue 3-4

Abstract

5-(p-bromophenyl)-N,N-bis(2-chloroethyl)-2-furamide belongs to so-called “N-mustards”, the compounds showing biological and pharmacological activities. It crystallizes in the monoclinic space group P21/n with unit cell parameters a = 20.347(6), b = 10.405(3), c = 7.693(2) Å, β = 95.52(2)°; V = 1621.1(8) Å3, Mr = 391.088 (C15H14BrCl2NO2), Z = 4, Dx = 1.602 gcm−3; λ(MoKα) = 0.7107 Å, μ = 28.43 cm−1; F(000) = 784, T = 293 K. The structure was solved by the heavy-atom method and refined to R = 0.041 for 1157 observed reflections. Furan and benzene rings are inclined with each other by 12.6(2)°. Exocyclic bond angles at the furan C(2) as well as at the C(5) atom differ markedly: the C-C-C angles [127.7(7), 133.6(7)°] are larger than the corresponding O-C-C angles [122.7(7), 117.7(6)°]. Such significant differences, common for furan compounds, may be due to possible hybridization effects at the C(2) and C(5) furan atoms. The N-chloroethyl groups are antiperiplanar with the N-C-C-Cl torsion angles of 176.6(5) and −176.3(5)°.

Published Online: 2010-08-25
Published in Print: 1990

Articles in the same Issue

  1. On some homeotypes of Si
  2. The crystal structure of Ca0.8Mg1.2 2Si2O6 clinopyroxene (Di80En20) at T = −130°, 25°, 400° and 700°C
  3. Slip band formation during bending of GaAs wafers
  4. Laves-phase arrangements of metal atoms in some oxides
  5. Hg9P5I6: a new mercury(I, II) structural determination
  6. Bestimmung der Kristallstruktur von T-Na3PO4 mit Röntgen- und Neutronenpulvertechniken
  7. Optical activity in centrosymmetric crystals?
  8. The crystal structure of Er3Ru2
  9. Crystal structure of 5-(p-bromophenyl)-N,N-bis(2-chloroethyl)-2-furamide
  10. Crystal structure of tetrapotassium diphosphidoberyllate, K4BeP2
  11. Crystal structure of tetrapotassium diarsenidoberyllate, K4BeAs2
  12. Crystal structure of dipotassium sodium diphosphidogallate, K2NaGaP2
  13. Crystal structure of tricaesium diarsenidoaluminate, Cs3AlAs2
  14. Crystal structure of trirubidium diphosphidogallate, Rb3GaP2
  15. Crystal structure of tricaesium diarsenidogallate, Cs3GaAs2
  16. Crystal structure of 2-methoxy-7,7-dimethyl-N-ptolyl-pyrrolono{f,g}-7H-xanthen, C24H21NO3
  17. Crystal structure of μhydrido-tri-μ-diphenylphosphido-di-μ4-phenylphosphido-octacarbonyl-tetraangulo-tetrarhenium dichloromethane, Re4(H)(P(C6H5)2)3(P(C6H5))2(CO)8CH2Cl2
  18. Crystal structure of μ-iodo-μ-oxo-tetra-μ-diphenylphosphido-μ4-phenylphosphido-octacarbonyltetraangulo-tetrarhenium, Re4(I)(O)(P(C6H5)2)4(P(C6H5))(CO)8
  19. Crystal structure of /i-iodo-ju-oxo-/*-hydridotri-μ-diphenylphosphido-μ4-phenylphosphidooctacarbonyl-tetraangulo-tetrarhenium trichloromethane, Re4(I)(0)(H)(P(C6H5)2)3(P(C6H5))(CO)8CHCl3
  20. Crystal structure of cis-iodo-diphenylphosphinetetracarbonyl-rhenium, IRe(CO)4(P(C6H5)2H)
  21. Crystal structure of di-μ-iodo-μ-tetraphenyldiphosphanoxide-bis(tricarbonyl-rhenium), Re2(I)2(P(C6H5)2OP(C6H5)2)(CO)6
  22. Crystal structure of μ3-hydrido-μ3-iodo-tri-μ-diphenylphosphido-hexacarbonyl-triangulotrirhenium, Re3(H)(I)(P(C6H5)2)3(CO)6
  23. Crystal structure of μhydrido-μ3-bromotri-μ-diphenylphosphido-hexacarbonyl-triangulotrirhenium, Re3(H)(Br)(P(C6H5)2)3(CO)6
  24. Crystal structure of μ-iodo-μ-hydrido-tetra-μ-diphenylphosphido-μ4-phenylphosphido-octacarbonyltetraangulo-tetrarhenium trichloromethane dichloromethane, Re4(I)(H)(P(C6H5)2)4(P(C6H5))(CO)8(CHCl3)0.87(CH2Cl2)0.77
  25. Crystal structure of 4′-(4-propylphenyl)phenyl4″-butylbenzoate, (C4H9)(C6H4)COO(C6H4)(C6H4)(C3H7)
  26. Crystal structure of llβ,17-dihydroxy-21-ureidopregn-4-en-3,20-dion, C22H32N2O5
https://doi.org/10.1524/zkri.1990.192.3-4.255

Articles in the same Issue

  1. On some homeotypes of Si
  2. The crystal structure of Ca0.8Mg1.2 2Si2O6 clinopyroxene (Di80En20) at T = −130°, 25°, 400° and 700°C
  3. Slip band formation during bending of GaAs wafers
  4. Laves-phase arrangements of metal atoms in some oxides
  5. Hg9P5I6: a new mercury(I, II) structural determination
  6. Bestimmung der Kristallstruktur von T-Na3PO4 mit Röntgen- und Neutronenpulvertechniken
  7. Optical activity in centrosymmetric crystals?
  8. The crystal structure of Er3Ru2
  9. Crystal structure of 5-(p-bromophenyl)-N,N-bis(2-chloroethyl)-2-furamide
  10. Crystal structure of tetrapotassium diphosphidoberyllate, K4BeP2
  11. Crystal structure of tetrapotassium diarsenidoberyllate, K4BeAs2
  12. Crystal structure of dipotassium sodium diphosphidogallate, K2NaGaP2
  13. Crystal structure of tricaesium diarsenidoaluminate, Cs3AlAs2
  14. Crystal structure of trirubidium diphosphidogallate, Rb3GaP2
  15. Crystal structure of tricaesium diarsenidogallate, Cs3GaAs2
  16. Crystal structure of 2-methoxy-7,7-dimethyl-N-ptolyl-pyrrolono{f,g}-7H-xanthen, C24H21NO3
  17. Crystal structure of μhydrido-tri-μ-diphenylphosphido-di-μ4-phenylphosphido-octacarbonyl-tetraangulo-tetrarhenium dichloromethane, Re4(H)(P(C6H5)2)3(P(C6H5))2(CO)8CH2Cl2
  18. Crystal structure of μ-iodo-μ-oxo-tetra-μ-diphenylphosphido-μ4-phenylphosphido-octacarbonyltetraangulo-tetrarhenium, Re4(I)(O)(P(C6H5)2)4(P(C6H5))(CO)8
  19. Crystal structure of /i-iodo-ju-oxo-/*-hydridotri-μ-diphenylphosphido-μ4-phenylphosphidooctacarbonyl-tetraangulo-tetrarhenium trichloromethane, Re4(I)(0)(H)(P(C6H5)2)3(P(C6H5))(CO)8CHCl3
  20. Crystal structure of cis-iodo-diphenylphosphinetetracarbonyl-rhenium, IRe(CO)4(P(C6H5)2H)
  21. Crystal structure of di-μ-iodo-μ-tetraphenyldiphosphanoxide-bis(tricarbonyl-rhenium), Re2(I)2(P(C6H5)2OP(C6H5)2)(CO)6
  22. Crystal structure of μ3-hydrido-μ3-iodo-tri-μ-diphenylphosphido-hexacarbonyl-triangulotrirhenium, Re3(H)(I)(P(C6H5)2)3(CO)6
  23. Crystal structure of μhydrido-μ3-bromotri-μ-diphenylphosphido-hexacarbonyl-triangulotrirhenium, Re3(H)(Br)(P(C6H5)2)3(CO)6
  24. Crystal structure of μ-iodo-μ-hydrido-tetra-μ-diphenylphosphido-μ4-phenylphosphido-octacarbonyltetraangulo-tetrarhenium trichloromethane dichloromethane, Re4(I)(H)(P(C6H5)2)4(P(C6H5))(CO)8(CHCl3)0.87(CH2Cl2)0.77
  25. Crystal structure of 4′-(4-propylphenyl)phenyl4″-butylbenzoate, (C4H9)(C6H4)COO(C6H4)(C6H4)(C3H7)
  26. Crystal structure of llβ,17-dihydroxy-21-ureidopregn-4-en-3,20-dion, C22H32N2O5
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