نتایج جستجو برای: disordered atoms
تعداد نتایج: 87941 فیلتر نتایج به سال:
In the title complex, [Ni(C2N3)2(C9H24N4)], the Ni(II) atom is coordinated in a distorted octa-hedral geometry by one tris-(3-amino-prop-yl)amine (tris-apa) ligand and two dicyanamide (dca) ligands [one of them disordered in a 0.681 (19):0319 (19) ratio]. Inter-molecular N-H⋯N hydrogen bonds involving the N atoms of the dca anions and the tris-apa amine H atoms result in the formation of a thre...
The title compound, [Fe(C(5)H(5))(C(17)H(16)N(3)O(2))], crystallizes with an essentially eclipsed conformation of the cyclo-penta-dienyl (Cp) rings. The unsubstituted ring is disordered over two positions with the major component being present 90 (1)% of the time. The substituted Cp ring, the pyrazole ring and three atoms of the eth-oxy-carbonyl group form a conjugated π-system. These 13 atoms ...
The title compound, C8H6FNO2, is almost planar (r.m.s. deviation for the non-H atoms = 0.019 Å) and the conformation across the C=C bond is trans. The C and H atoms of the side chain are disordered over two sets of sites in a 0.56 (3):0.44 (3) ratio. In the crystal, mol-ecules are linked by C-H⋯O inter-actions, thus forming C(5) chains propagating in [001].
In the title compound, C17H14F2O3, the dihedral angle between the benzene rings is 20.56 (8)° and the H atoms at the central propenone group are trans configured. One of the F atoms is disordered over two positions (occupancy ratio 0.57:0.43) and was refined using a split model. In the crystal, the molecules are linked into centrosymmetrical dimers and are further connected into a three-dimensi...
In the title compound, C(17)H(14)ClN(5), two C atoms and their attached H atoms of the pyrrolidine ring are disordered over two sets of sites with an occupancy ratio of 0.638 (10):0.362 (10). The benzene and pyridine rings are inclined to one another by 60.57 (8)°. In the crystal, the amino group forms an N-H⋯N hydrogen bond with one of the cyano groups, linking the mol-ecules into chains along...
In the title compound, C(22)H(21)N(3)O(6)Se, the heterocyclic ring makes dihedral angles of 50.03 (11) and 67.75 (11)°, respectively, with the benzene and phenyl rings. The terminal C atoms of the ester groups are disordered over two positions: the site occupancies for the C atoms are 0.62 (3)/0.38 (3) and 0.48 (3)/0.52 (3). In the crystal structure, weak intra- and inter-molecular C-H⋯O inter-...
In the title compound, C(10)H(10)N(2)O(3), an inter-mediate in the synthesis of anthranilamide insecticides, all the non-H atoms except the nitro-group O atom lie on a crystallographic mirror plane. The H atoms of the methyl group are disordered over two sets of sites with equal occupancies. In the crystal structure, C-H⋯N links lead to chains of mol-ecules propagating in [100].
In the title compound, C(8)H(6)N(2)O(6), the O atoms of the nitro groups, the methyl H atoms and the carboxyl C=O and C-OH groups are disordered over two sets of sites with an occupancy ratio of 0.595 (16):0.405 (16). In the crystal, inversion dimers linked by pairs of O-H⋯O hydrogen bonds arise for both carboxyl disorder components and C-H⋯O bonds and weak C-H⋯π inter-actions consolidate the p...
The asymmetric unit of the title compound C(20)H(30)N(4)S(2) (+). 2ClO(4) (-) comprises one macrocyclic cation and two perchlorate anions. In the cation, one of the protonated H atoms bound to the amide N atom is involved in an intra-molecular N-H⋯N hydrogen bond. The O atoms in the two perchlorate anions are disordered over two sets of sites with occupancy ratios of 0.65 (3):0.35 (3) and 0.640...
نمودار تعداد نتایج جستجو در هر سال
با کلیک روی نمودار نتایج را به سال انتشار فیلتر کنید