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6093 citations found for De

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An extensive structural study on hydrogen and halogen bonding in co-crystals has helped clarify the competition and balance between them in a practical supramolecular synthesis.

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Two new polymorphs of 4-(N,N-dimethyl­amino)­benzoic acid, C9H11NO2, resulting from the attempted cocrystallization in ethanol of 4-(N,N-dimethyl­amino)­benzoic acid and a mixture of 3-(N,N-dimethyl­amino)­benzoic acid and 3-(3-pyrid­yl)-2-pyridone producing one polymorph, and a mixture of 3-(N,N-dimethyl­amino)­benzoic acid and 5-meth­oxy-3,3'-bipyridine producing the second polymorph, have been crystallographically characterized. The primary inter­molecular O-H...O hydrogen bonds generate a dimeric acid-acid motif that is present in all three polymorphs.

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An extensive structural study on hydrogen and halogen bonding in co-crystals has helped clarify the competition and balance between them in a practical supramolecular synthesis.

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Crystallization and crystallographic study of HIP/PAP, a human C-lectin overexpressed in primary liver cancer. Presentation of a molecular-replacement solution using the human lithostathine structure and the AMoRe software.

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Given a symmetrical pattern {\cal P} consisting of disjoint congruent symmetric motifs, a method is described for arriving at a coloring of {\cal P} which is perfect and transitive under its global symmetry group G and where the coloring of each motif is also perfect and transitive under its own group of symmetries (local symmetries of {\cal P}). The coloring of {\cal P} is coordinated with the property that the symmetry of {\cal P} that is both a global and local symmetry effects the same permutation of the colors of {\cal P} and the corresponding motif, respectively.

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The title 13-membered benzo[4,5]imidazo[1,2-d][1,2,4]triazine fused-ring system (r.m.s. deviation = 0.028 Å), makes a dihedral angle of 53.13 (7)° with the attached di­fluoro­phenyl ring and 79.98 (7)° with the attached pyridine ring. The crystal packing features aromatic [pi]-[pi] inter­actions between the 13-membered rings [shortest distance between ring centroids = 3.5682 (8) Å].

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The 13-membered ring system makes dihedral angles of 78.64 (9)° with the tri­chloro­phenyl ring and 62.60 (10)° with the pyridine ring. The crystal packing is dominated by π–π inter­actions between the fused ring systems.

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The title compound contains a centrosymmetric dimeric cation and it is formed upon slow evaporation of a solution containing bis­(aceto­nitrile)­bis­[1,2-bis­(di­phenyl­phosphino)­ethane]­palladium(II) bis(tetra­fluoro­borate) in deuterated chloro­form. The anion and the solvent mol­ecule are slightly disordered.

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In the title di­methyl­palladium(II) complex, [Pd(CH3)2(C27H26P2)]·0.5C7H8, the P-Pd-P angle [93.18 (3)°] is significantly larger than that in the corresponding di­chloro complex [89.32 (3)°]. The toluene mol­ecule is disordered around an inversion centre.

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The novel bacterial nitroreductase YwrO from B. amyloliquefaciens has been crystallized in two different crystal forms. An initial molecular-replacement solution has been obtained using the mammalian NQO2 structure.


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In the crystal of the new title octa­hydro­acridine, the mol­ecules are connected by C—H...π inter­actions, forming chains propagating along the b-axis direction that stack in a sandwich–herringbone arrangement.


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