Crystal structure of [5-n-butyl-10-(2,5-dimethoxyphenyl)-2,3,7,8,13,12,17,18-octaethylporphyrinato]nickel(II)
نویسندگان
چکیده
The asymmetric unit of the title nickel(II) porphyrin, [Ni(C48H60N4O2)], contains one independent mol-ecule. The average Ni-N bond length is 1.917 (13) Å. The mol-ecules are arranged in a closely spaced lattice structure in which neighbouring porphyrins are oriented in inversion-related dimers. The nickel(II) porphyrin is characterized by a significant degree of a ruffled (B 1u ) conformation with small contributions from saddle (B 2u ) and wave (y) [Eg (y)], as determined using normal structural decomposition. Disorder in the 2,5-di--meth-oxy-phenyl substituent was modelled over two positions with a 60% occupancy for the major moiety. One of the ethyl groups is also disordered over two positions and was modelled with the major moiety being present in 51.3% occupancy.
منابع مشابه
Crystal Structure of Trans- [bis(2,5-dichlorophenylcyanamido) {N,N′-propanediylbis(2,3-butadien-2-imine-3-oxime)} Cobalt(III)], trans-[Co((DO)(DOH)pn)(2,5-Cl2pcyd)2]
The first crystal structure of a phenylcyanamide cobaltoxime (cobaloxime) complex is reported. This compound is trans-[Co((DO)(DOH)pn)(2,5-Cl2pcyd)2], and consits of an imine-oxime equatorial ligand ((DO)(DOH)pn) and two 2,5-dichlorophenylcyanamide ligands in axial positions. Crystals of trans- [Co((DO)(DOH)pn)(2,5-Cl2pcyd)2] were grown by ether diffusion into an acetonitrile solution of the co...
متن کامل5-Hydroxyalkyl derivatives of tert-butyl 2-oxo-2,5-dihydro-1H-pyrrole-1-carboxylate: diastereoselectivity of the Mukaiyama crossed-aldol-type reaction.
The title compounds, rac-(1'R,2R)-tert-butyl 2-(1'-hydroxyethyl)-3-(2-nitrophenyl)-5-oxo-2,5-dihydro-1H-pyrrole-1-carboxylate, C(17)H(20)N(2)O(6), (I), rac-(1'S,2R)-tert-butyl 2-[1'-hydroxy-3'-(methoxycarbonyl)propyl]-3-(2-nitrophenyl)-5-oxo-2,5-dihydro-1H-pyrrole-1-carboxylate, C(20)H(24)N(2)O(8), (II), and rac-(1'S,2R)-tert-butyl 2-(4'-bromo-1'-hydroxybutyl)-5-oxo-2,5-dihydro-1H-pyrrole-1-car...
متن کاملCrystal structures of N-tert-butyl-3-(4-fluorophenyl)-5-oxo-4-[2-(trifluoromethoxy)phenyl]-2,5-dihydrofuran-2-carboxamide and 4-(2H-1,3-benzodioxol-5-yl)-N-cyclohexyl-5-oxo-3-[4-(trifluoromethyl)phenyl]-2,5-dihydrofuran-2-carboxamide
The title compounds, C22H19F4NO4, (I), and C25H22F3NO5, (II), each contain a central nearly planar di-hydro-furan-one ring. The r.m.s. deviation from planarity of these rings is 0.015 Å in (I) and 0.027 Å in (II). The mol-ecules are T-shaped, with the major conformational difference being the O-C-C-O torsion angle [-178.9 (1) in (I) and 37.7 (2)° in (II)]. In the crystal of (I), mol-ecules are ...
متن کاملCrystal structure of tetraaquabis(thiocyanato-κN)nickel(II)–2,5-dimethylpyrazine (1/4)
In the crystal structure of the title compound, [Ni(NCS)2(H2O)4]·4C6H8N2, the Ni(II) cations are coordinated by four water ligands and two trans-coordinated terminally N-bonded thio-cyanate anions in a slightly distorted octa-hedral geometry. The asymmetric unit consists of a Ni(2+) cation located on a centre of inversion, two water mol-ecules and one thio-cyanate ligand, as well as two uncoord...
متن کاملCrystal structure of 2,6-bis(2,5-dimethoxyphenyl)-3,5-dimethylpiperidin-4-one
In the title mol-ecule, C23H29NO5, the central piperidine ring has a chair conformation. The planes of the two benzene rings are inclined each to other at 61.7 (1)°. The crystal packing exhibits no directional inter-actions only van der Waals contacts.
متن کامل