Voici les éléments 1 - 10 sur 16
  • Publication
    Métadonnées seulement
    rac-(R)-2-[(2R,5R)-5-Methyltetrahydrofuran-2-yl]propanoic acid
    (2006)
    Loiseau, Francois
    ;
    ;
    In the crystal structure of rac-(R)-2-[(2R,5R)-5-methyltetrahydrofuran-2-yl]propanoic acid, C8H14O3, the 2,5-THF ring junction is cis. The relative configuration of position 2 in the propanoic acid group is the same as that in positions 2 and 5 in the THF ring. In the crystal structure, symmetry-related mols. are linked by O-H...O H bonds to form centrosym. dimers. Crystallog. data are given. [on SciFinder(R)]
  • Publication
    Métadonnées seulement
    2,2'-(Propane-2,2-diyl)bis(1H-pyrrole)
    2,2'-(Propane-2,2-diyl)bis(1H-pyrrole), C11H14N2, crystd. with 2 independent mols. (A and B) in the asym. unit. The 2 mols. differ only slightly, with the pyrrole rings being inclined to 1 another at a dihedral angle of 87.67(8)° in mol. A and 88.09(7)° in mol. B. In the crystal, there are no classical H bonds, but the 2 pyrrole NH groups of 1 mol. are involved in N-H···? interactions with the pyrrole rings of the other mol. In this manner, a compact box-like arrangement of the 2 independent mols. is formed. Crystallog. data are given. [on SciFinder(R)]
  • Publication
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    4-Methoxybenzoyl-meso-octamethylcalix[2]pyrrolidino[2]pyrrole: an acyl chloride derivative of a partially reduced calix[4]pyrrole
    In the title compd., C36H50N4O2, the two pyrrolidine rings have envelope conformations. The conformation of the macrocycle is stabilized by N-H···N H bonds and a C-H···N interaction. The benzoyl ring is inclined to an adjacent pyrrole ring by 6.76(9)°, with a centroid-to-centroid distance of 3.6285(10) Å. In the crystal, apart from a C-H···O and a C-H···? interaction, mols. are linked via an N-H···O H bond, giving helical chains propagating along [010]. Crystallog. data and at. coordinates are given. [on SciFinder(R)]
  • Publication
    Métadonnées seulement
    2,2'-[(2S*,6R*)-Piperidine-2,6-diyl]dipropan-2-ol
    In the title compd., C11H23NO2, the piperidine ring has a chair conformation. The two hydroxy H atoms are disordered over two positions with fixed occupancy ratios of 0.57:0.43 and 0.63:0.37. In the mol., there are two short N-H···O interactions. In the crystal, four symmetry-related mols. are linked by O-H···O H bonds to form a cage-like arrangement, centered about the point of intersection of three 2-fold axes. These cages stack along the [100] direction. Crystallog. data and at. coordinates are given. [on SciFinder(R)]
  • Publication
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    Synthesis, structure, and complexation properties of partially and completely reduced meso-octamethylporphyrinogens (calix[4]pyrroles)
    (2009)
    Blangy, Valeria
    ;
    Heiss, Christoph
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    Khlebnikov, Vsevolod
    ;
    Letondor, Christophe
    ;
    ;
    Calixpyrroles bind anions efficiently and can be transformed into transition-metal complexes only under forcing conditions. Reducing the macrocycle creates a ligand that easily forms classical Werner complexes with Cu, Ni, and Pd ions. The metal complexes present an array of four directed H bonds, which specifically bind the counterions. [on SciFinder(R)]
  • Publication
    Métadonnées seulement
    1,4-Bis(hexyloxy)-2,5-diiodobenzene
    (2010) ; ;
    Sereda, Olha
    ;
    Neels, Antonia
    ;
    The centrosym. title compd., C18H28I2O2, crystd. in the monoclinic space group P21/c with the alkyl chains having extended all-trans conformations, similar to those in the centrosym. bromo analog that crystd. in the triclinic space group P?1. The difference between the 2 structures lies in the orientation of the 2 alkyl chains with respect to the C(arom.)-O bond. In the title compd., the O-Calkyl-Calkyl-Calkyl torsion angle is 55.8(5)°, while in the bromo analog this angle is -179.1(2)°. In the title compd., the C-atoms of the alkyl chain are almost coplanar [max. deviation of 0.052(5) Å] and this mean plane is inclined to the benzene ring by 50.3(3)°. In the bromo-analog, these 2 mean planes are almost coplanar, making a dihedral angle of 4.1(2)°. Another difference between the crystal structures of the 2 compds. is that in the title compd. there are no halide...halide interactions. Instead, symmetry-related mols. are linked via C-H...? contacts, forming a 2D network. Crystal data: monoclinic, P21/n, a = 9.441(9), b = 7.8455(6), c = 13.457(2) Å, ? = 92.148(12)°, Z = 2, 1216 obsd. reflections with I > 2(I), 101 refined parameters, R[F2 > 2?(F2)] = 0.029, wR(F2) = 0.055. [on SciFinder(R)]
  • Publication
    Métadonnées seulement
    2-(2-Naphthyl)-1,3-dioxane
    The title compd., C14H14O2, crystallizes in the chiral monoclinic space group P21. Crystallog. data and at. coordinates are given. This acetal is composed of a planar naphthalene ring with a 1,3-dioxane ring substituent, which has a chair conformation. In the crystal structure, symmetry-related mols. are connected via a weak C-H...O interaction to form a helical chain propagating in [010]. While there are no ?-? stacking interactions present, there are weak C-H...? interactions involving the naphthalene arom. rings, which link the helical chains to form a two-dimensional network in the (011) plane. [on SciFinder(R)]
  • Publication
    Métadonnées seulement
    Synthesis of α,β'- and β,β'-linked dimethoxycarbonyldipyrromethanes by Rothemund-type condensation
    The Rothemund-type condensation of methoxycarbonylpyrrole with acetone produces mainly the α,β'-linked dipyrromethane, a building block for the synthesis of N-confused macrocycles. The influence of the reaction conditions on the regioselectivity of the process is reported. The x-ray structures of the α,α'-, α,β'- and β,β'-linked dipyrromethanes show an interesting discrimination of the structurally different types of hydrogen bonds. [on SciFinder(R)]
  • Publication
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    rac-Methyl 4-azido-3-hydroxy-3-(2-nitrophenyl)butanoate
    In the title compd., C11H12N4O5, the mean plane through the nitro substituent on the benzene ring is inclined to the benzene mean plane by 85.8 (2)°, which avoids steric interactions with the ortho substituents. The hydroxy group is involved in bifurcated hydrogen bonds. The first is an intramol. O-H...O hydrogen bond, involving the ester carbonyl O atom, which gives rise to the formation of a boat-like hydrogen-bonded chelate ring. The second is an intermol. O-H...N hydrogen bond involving the first N atom of the azide group of a symmetry-related mol. In the crystal structure this leads to the formation of a polymer chain extending in the c-axis direction. Crystallog. data are given. [on SciFinder(R)]
  • Publication
    Métadonnées seulement
    4,4-Bis(1H-pyrrol-2-yl)pentanol
    The achiral 4,4-bis(1H-pyrrol-2-yl)pentanol, C13H18N2O, crystd. in the chiral monoclinic space group P21. The pyrrole rings are inclined to 1 another by 62.30(11)°, and the PrOH chain is in an extended conformation. In the crystal, the 2 pyrrole NH groups are involved in intermol. N-H···O H bonds, giving a helical arrangement propagating along the b axis. An interesting feature of the crystal structure is the absence of any conventional H bonds involving the hydroxy H atom. There is a weak intermol. O-H···? interaction involving 1 of the pyrrole rings. Crystallog. data are given. [on SciFinder(R)]