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首页> 外文期刊>Acta Crystallographica, Section B. Structural Science >Hydrogen Bonding in Diphenylmethanols, RCPh_2OH: Structures of Monomeric (4-Biphenyl)diphenylmethanol and Diphenyl(2-pyridyl)methanol, Dimeric 1,1,3-Triphenylpropyn-l-ol, Trimeric 2-Methyl-1,1-diphenylpropan-l-ol, Tetrameric Diphenyl(2-thienyl)methan
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Hydrogen Bonding in Diphenylmethanols, RCPh_2OH: Structures of Monomeric (4-Biphenyl)diphenylmethanol and Diphenyl(2-pyridyl)methanol, Dimeric 1,1,3-Triphenylpropyn-l-ol, Trimeric 2-Methyl-1,1-diphenylpropan-l-ol, Tetrameric Diphenyl(2-thienyl)methan

机译：二苯基甲醇中的氢键，RCPh_2OH：单体（4-联苯基）二苯基甲醇和二苯基（2-吡啶基）甲醇，二聚1,1,3-三苯基丙炔-1-醇，三聚2-甲基-1,1-二苯丙烷-1的结构-ol，四聚二苯基（2-噻吩基）甲烷

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(4-Biphenyl)diphenylmethanol (1), C25H20O, ortho-rhombic, P212121, a = 8.3580(11), 6=13.8976(17), c = 15.5915 (12) A, Z = 4, R = 0.032 for 1146 observations [I > 3σ(I)]: the structure contains isolated monomers with no hydrogen bonding. Diphenyl(2-pyridyl)methanol (2), C18H15NO, monoclinic, P21/c, a = 8.1899(8), b = 14.855(2), c = 11.6069 (15) A, β = 96.344(8)°, Z = 4, R = 0.049 for 879 observations [I > 3σ(I)]: the structure consists of isolated monomers in which the intramolecular O-H...N hydrogen-bond motif has graph set S(5). 1,1,3-Triphenylpropyn-l-ol (3), C21H16O, monoclinic, P21/c, a = 5.9794(12), b = 9.953(3), c = 26.420 (3) A, β = 91.365(12)°, Z = 4, R = 0.039 for 971 observations [I > 2σ(I)]: the structure contains centrosymmetric dimers held together by O-H...π(arene) hydrogen bonds involving one of the phenyl groups, rather than the propargyl group. 2-Methyl-1,1-diphenylpropan-1-ol (4), C16H18O, trigonal, P31c, a=13.9232(17), c = 12.0200(19) A, Z = 6, R = 0.031 for 763 observations [I > 3σ(I)]: the structure consists of cyclic hydrogen-bonded trimers with crystallographic threefold symmetry and disordered hydroxyl H atoms in a motif with graph set R33(6): the O...O distance in the trimers is 2.864 (7) A. Diphenyl(2-thienyl)methanol (5), C17H14OS, rhombohedral, R3, a = 19.20(1), c = 26.48 (1) A, Z = 24: this compound is isomorphous and isostructural with triphenylmethanol, Ph3COH, and forms hydrogen-bonded tetrahedral tetra-mers. Bis(pentafluorophenyl)methanol (6), C13H2F10O, rhombohedral, R3, a = 26.113(3), c = 9.788(3)A (at 293 K), R = 0.068 for 1214 observations [I > 2σ(I)]; a = 26.006(4), c = 9.5941 (11) A (at 173 K), R = 0.072 for 1889 observations [I > 2σ(I)], Z = 18; the structure consists of coaxial stacks of cyclic hydrogen-bonded hexamers, each of 3 symmetry, and with a hydrogen-bond motif of graph set R66(12). Within the hexamers, the molecules are disordered over two orientations in the ratio 0.779 (3):0.221 (3) at 293 K and 0.776(2):0.224(2) at 173 K: the O...O distance is 2.702 (4) A at 293 K and 2.683 (4) A at 173 K. Diphenylmethanol (7), C13H12O, orthorhombic, P22121, a = 5.1300(10), b = 18.650(5), c = 21.168 (6) A, Z = 8, R = 0.035 for 1487 observations [I > 3σ(I)]: there are two molecules in the asymmetric unit and the molecules are linked by hydrogen bonds into spiral chains having graph set C(4) and lying parallel to the a-axis; the O...O distances within the chains are 2.826(3) and 2.878 (3) A.
机译：（4-联苯基）二苯基甲醇（1），C25H20O，斜方晶，P212121，a = 8.3580（11），6 = 13.8976（17），c = 15.5915（12）A，Z = 4，R = 0.032适用于1146次观测[I>3σ（I）]：结构包含没有氢键的孤立单体。二苯基（2-吡啶基）甲醇（2），C18H15NO，单斜晶系，P21 / c，a = 8.1899（8），b = 14.855（2），c = 11.6069（15）A，β= 96.344（8）°，Z = 4，对于879个观察值，R = 0.049 [I>3σ（I）]：该结构由孤立的单体组成，其中分子内OH ... N氢键基序的图形集为S（5）。 1,1,3-三苯基丙炔-1-醇（3），C21H16O，单斜晶系，P21 / c，a = 5.9794（12），b = 9.953（3），c = 26.420（3）A，β= 91.365（12） ）°，Z = 4，R = 0.039（用于971个观测值）：[I>2σ（I）]：结构包含通过OH ...π（芳烃）氢键连接在一起的中心对称二聚体，而不是苯基炔丙基。 2-甲基-1,1-二苯基丙-1-醇（4），C16H18O，三角形，P31c，a = 13.9232（17），c = 12.0200（19）A，Z = 6，R = 0.031（763次观察）[I >3σ（I）]：该结构由具有晶体学三重对称性的环状氢键三聚体和图形集为R33（6）的基序中的无序羟基H原子组成：三聚体中的O ... O距离为2.864（7 ）A.二苯基（2-噻吩基）甲醇（5），C17H14OS，菱面体，R3，a = 19.20（1），c = 26.48（1）A，Z = 24：该化合物同构并与三苯基甲醇Ph3COH同构，并形成氢键键合的四面体四聚体。双（五氟苯基）甲醇（6），C13H2F10O，菱面体，R3，a = 26.113（3），c = 9.788（3）A（在293 K下），对于1214个观测值，R = 0.068 [I>2σ（I）]; a = 26.006（4），c = 9.5941（11）A（在173 K下），对于1889年的观测值[I>2σ（I）]，R = 0.072，Z = 18;该结构由3个对称的环状氢键合六聚体的同轴堆叠组成，并具有图形集R66（12）的氢键基序。在六聚体中，分子在两个方向上无序排列，在293 K时比率为0.779（3）：0.221（3），在173 K时比率为0.776（2）：0.224（2）：O ... O距离为2.702（ 4）A在293 K和2.683（4）A在173 K下。二苯甲醇（7），C13H12O，正交晶，P22121，a = 5.1300（10），b = 18.650（5），c = 21.168（6）A，Z = 8，对于1487个观测值，R = 0.035 [I>3σ（I）]：不对称单元中有两个分子，并且这些分子通过氢键连接成具有图集C（4）并平行于a的螺旋链-轴;链中的O ... O距离为2.826（3）和2.878（3）A.

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