scholarly journals Crystal structure of bis(2-methyl-1H-imidazole-κN3)(meso-tetra-p-tolylporphyrinato-κ4N)iron(III) perchlorate tetrahydrofuran sesquisolvate

2016 ◽  
Vol 72 (8) ◽  
pp. 1116-1120 ◽  
Author(s):  
Wenyan Sun ◽  
Jianfeng Li
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Octahedral Geometry ◽  
Distorted Octahedral Geometry ◽  
Dihedral Angles ◽  
Porphyrin Ligand ◽  
Distorted Octahedral ◽  
The Mean ◽  
Porphyrin Core ◽  
Atom Bond

In the title compound, [Fe(C48H36N4)(C4H6N2)2]ClO4·1.5C4H8O, the iron(III) metal is coordinated in a distorted octahedral geometry by four pyrrole N atoms of the porphyrin ligand in the equatorial plane and two N atoms of 2-methylimidazole ligands in the axial sites. The complex has a highly ruffled porphyrin core with mean absolute core-atom displacementsCa,Cb,CmandCavof 0.25 (5), 0.17 (12), 0.432 (16) and 0.25 (13) Å, respectively. One of the four phenyl groups of the porphyrin is disordered over two sets of sites with refined occupancy ratio of 0.718 (7):0.282 (7). The mean Fe—Np(Npis a porphyrin N atom) bond length [1.975 (9) Å] indicates the low-spin state of the iron atom. The two 2-methylimidazole ligands are nearly perpendicular and form a dihedral angle of 86.93 (10)°. The dihedral angles between the 2-methylimidazole ligands and the closest Fe—Npvector are 38.04 (9) and 35.00 (7)°. In the crystal, the complex cations interact with the perchlorate anions through N—H...O hydrogen bonds, forming chains running parallel to [110].

Triaquachloridobis[4-(dimethylamino)benzaldehyde-κO]nickel(II) chloride

2007 ◽  
Vol 63 (11) ◽  
pp. m2819-m2819 ◽  
Author(s):  
Qiang Wang ◽  
Da-Qi Wang ◽  
Yu-Ying Sun
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Octahedral Geometry ◽  
Title Complex ◽  
Distorted Octahedral Geometry ◽  
Water Molecules ◽  
Two Dimensional ◽  
Distorted Octahedral ◽  
The Mean ◽  
Cl Atom

In the title complex, [NiCl(C9H11NO)2(H2O)3]Cl, the NiII ion is six-coordinated by one Cl atom [Ni—Cl = 2.3712 (11) Å], two O atoms from two 4-(dimethylamino)benzaldehyde (L) ligands and three water molecules in a distorted octahedral geometry [Ni—O = 2.076 (3)–2.094 (3) Å]. The mean planes of the two L ligands make a dihedral angle of 65.8 (1)°. In the crystal structure, intermolecular O—H...Cl hydrogen bonds link cations and anions into two-dimensional sheets parallel to the ab plane, with the L ligands protruding above and below.

scholarly journals Crystal structure of a mononuclear RuIIcomplex with a back-to-back terpyridine ligand: [RuCl(bpy)(tpy–tpy)]+

2015 ◽  
Vol 71 (9) ◽  
pp. 1017-1021 ◽  
Author(s):  
Francisca N. Rein ◽  
Weizhong Chen ◽  
Brian L. Scott ◽  
Reginaldo C. Rocha
Keyword(s):  
Crystal Structure ◽  
Crystal Packing ◽  
Bidentate Ligand ◽  
Octahedral Geometry ◽  
Distorted Octahedral Geometry ◽  
Stacking Interactions ◽  
Bite Angle ◽  
Distorted Octahedral ◽  
The Mean

We report the structural characterization of [6′,6′′-bis(pyridin-2-yl)-2,2′:4′,4′′:2′′,2′′′-quaterpyridine](2,2′-bipyridine)chloridoruthenium(II) hexafluoridophosphate, [RuCl(C10H8N2)(C30H20N6)]PF6, which contains the bidentate ligand 2,2′-bipyridine (bpy) and the tridendate ligand 6′,6′′-bis(pyridin-2-yl)-2,2′:4′,4′′:2′′,2′′′-quaterpyridine (tpy–tpy). The [RuCl(bpy)(tpy–tpy)]+monocation has a distorted octahedral geometry at the central RuIIion due to the restricted bite angle [159.32 (16)°] of the tridendate ligand. The Ru-bound tpy and bpy moieties are nearly planar and essentially perpendicular to each other with a dihedral angle of 89.78 (11)° between the least-squares planes. The lengths of the two Ru—N bonds for bpy are 2.028 (4) and 2.075 (4) Å, with the shorter bond being opposite to Ru—Cl. For tpy–tpy, the mean Ru—N distance involving the outer N atomstransto each other is 2.053 (8) Å, whereas the length of the much shorter bond involving the central N atom is 1.936 (4) Å. The Ru—Cl distance is 2.3982 (16) Å. The free uncoordinated moiety of tpy–tpy adopts atrans,transconformation about the interannular C—C bonds, with adjacent pyridyl rings being only approximately coplanar. The crystal packing shows significant π–π stacking interactions based on tpy–tpy. The crystal structure reported here is the first for a tpy–tpy complex of ruthenium.

scholarly journals Tris(5,6-dimethyl-1H-benzimidazole-κN 3)(pyridine-2,6-dicarboxylato-κ3 O 2,N,O 6)nickel(II)

2012 ◽  
Vol 68 (6) ◽  
pp. m739-m739
Author(s):  
Yue-Hua Li ◽  
Feng-Feng Li ◽  
Xin-Hua Liu ◽  
Ling-Yan Zhao
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Octahedral Geometry ◽  
Mononuclear Complex ◽  
Distorted Octahedral Geometry ◽  
Distorted Octahedral ◽  
Dicarboxylate Ligand

The title mononuclear complex, [Ni(C7H3NO4)(C9H10N2)3], shows a central NiII atom which is coordinated by two carboxylate O atoms and the N atom from a pyridine-2,6-dicarboxylate ligand and by three N atoms from different 5,6-dimethyl-1H-benzimidazole ligands in a distorted octahedral geometry. The crystal structure shows intermolecular N—H...O hydrogen bonds.

scholarly journals [(Pyridine-2,6-dicarboxylato)copper(II)]-μ-(pyridine-2,6-dicarboxylato)-[bis(ethylenediamine)copper(II)]-μ-(pyridine-2,6-dicarboxylato)-[(pyridine-2,6-dicarboxylato)copper(II)] ethylenediamine monosolvate tetrahydrate

2012 ◽  
Vol 68 (6) ◽  
pp. m830-m831 ◽  
Author(s):  
Amir Shokooh Saljooghi ◽  
Hadi Amiri Rudbari ◽  
Francesco Nicolò ◽  
Maliheh Zahmati ◽  
Fatemeh Delavar Mendi
Keyword(s):  
Crystal Structure ◽  
Aqueous Solution ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Octahedral Geometry ◽  
Title Complex ◽  
Distorted Octahedral Geometry ◽  
Acetate Dihydrate ◽  
Carboxylate Groups ◽  
Distorted Octahedral

The title compound, [Cu3(C7H3NO4)4(C2H8N2)2]·C2H8N2·4H2O, was obtained by the reaction of copper(II) acetate dihydrate with pyridine-2,6-dicarboxylic acid (H2dipic) and ethylenediamine (en) in an aqueous solution. All of the CuII atoms in the trinuclear centrosymmetric title complex are six-coordinated in a distorted octahedral geometry with N2O4 and N4O2 environments for the outer and central CuII atoms, respectively. Various interactions, including numerous O—H...O and C—H...O hydrogen bonds and C—O...π stacking of the pyridine and carboxylate groups [O...centroid distances = 3.669 (2) and 3.668 (2) Å] are observed in the crystal structure.

scholarly journals Caesium bis(5-bromosalicylaldehyde thiosemicarbazonato-κ3O,N,S)ferrate(III): supramolecular arrangement of low-spin FeIIIcomplex anions mediated by Cs+cations

2015 ◽  
Vol 71 (3) ◽  
pp. 169-174
Author(s):  
Robyn Elizabeth Powell ◽  
Carl H. Schwalbe ◽  
Graham J. Tizzard ◽  
Petra J. van Koningsbruggen
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Spin State ◽  
Structure Determination ◽  
Octahedral Geometry ◽  
Title Complex ◽  
Crystal Structure Determination ◽  
Distorted Octahedral Geometry ◽  
Synthesis And Crystal Structure ◽  
Distorted Octahedral

The synthesis and crystal structure determination (at 293 K) of the title complex, Cs[Fe(C8H6BrN3OS)2], are reported. The compound is composed of two dianionicO,N,S-tridentate 5-bromosalicylaldehyde thiosemicarbazonate(2−) ligands coordinated to an FeIIIcation, displaying a distorted octahedral geometry. The ligands are orientated in two perpendicular planes, with the O- and S-donor atoms incispositions and the N-donor atoms intranspositions. The complex displays intermolecular N—H...O and N—H...Br hydrogen bonds, creatingR44(18) rings, which link the FeIIIunits in theaandbdirections. The FeIIIcation is in the low-spin state at 293 K.

scholarly journals Crystal structure of bis(1-ethyl-1H-imidazole-κN 3)(meso-tetramesitylporphyrinato-κ4 N,N′,N′′,N′′′)iron(III) perchlorate chlorobenzene sesquisolvate

IUCrData ◽  
2019 ◽  
Vol 4 (5) ◽  
Author(s):  
Nana Zhan ◽  
Haimang Wang ◽  
Jianfeng Li
Keyword(s):  
Crystal Structure ◽  
Complex Cation ◽  
Ring System ◽  
Dihedral Angles ◽  
Porphyrin Ring ◽  
Cationic Complex ◽  
Distorted Octahedral ◽  
Porphyrin Core ◽  
Solvent Molecules ◽  
Atom Bond

In the complex cation of title compound, [Fe(C56H52N4)(C5H8N2)2]ClO4·1.5C6H5Cl, the ironIII atom is coordinated in a distorted octahedral manner by four pyrrole N atoms of the porphyrin ring system in the equatorial plane, and by two N atoms of the 1-ethylimidazole ligands in the axial sites. A disordered perchlorate anion and one and a half chlorobenzene solvent molecules are also present. The cationic complex exhibits a highly ruffled porphyrin core. The average Fe—Np (Np is a porphyrin N atom) bond length is 1.988 (5), and the axial Fe—NIm (NIm is an imidazole N atom) bond lengths are 1.962 (3) and 1.976 (3) Å. The two 1-ethylimidazole ligands are inclined to each other by a dihedral angle of 68.62 (16)°. The dihedral angles between the 1-ethylimidazole planes and the planes of the closest Fe—Np vector are 28.52 (18) and 43.57 (13)°. Intermolecular C—H...Cl interactions are observed.

scholarly journals Crystal structure of poly[aqua[μ-1,1′-(9,9-dimethyl-9H-fluoren-2,7-diyl)di-1H-imidazole](μ-naphthalene-1,4-dicarboxylato)nickel(II)]

2014 ◽  
Vol 70 (9) ◽  
pp. m324-m325
Author(s):  
Hengye Zou ◽  
Yanjuan Qi
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Water Molecule ◽  
Title Compound ◽  
Octahedral Geometry ◽  
Distorted Octahedral Geometry ◽  
Asymmetric Unit ◽  
Axis Direction ◽  
Carboxylate Anions ◽  
Distorted Octahedral

In the title compound, [Ni(C12H6O4)(C21H18N4)(H2O)]n, the NiIIcation is coordinated by three carboxylate O atoms of two naphthalene-1,4-dicarboxylate anions, one water molecule and two N atoms of two 1,1′-(9,9-dimethyl-9H-fluoren-2,7-diyl)di-1H-imidazole (DFDI) ligands, giving rise to a slightly distorted octahedral geometry. The NiIIions are linked by the DFDI ligands into chains, which are further connected by the carboxylate anions into double chains that elongate in the theb-axis direction. These double chains are linked by centrosymmetric pairs of O—H...O hydrogen bonds into layers parallel to (10-1). The asymmetric unit consists of one crystallographically independent NiIIcation, one carboxylate and one DFDI ligand, as well as of one water molecule, all of them located in general positions.

scholarly journals Crystal structure ofcatena-poly[[diaquacadmium(II)]-μ-3,3′-(1,3-phenylene)diacrylato]

2015 ◽  
Vol 71 (4) ◽  
pp. m91-m92
Author(s):  
Xiao-Ping Zhang ◽  
Xin Chen ◽  
Kun-Lin Huang
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Rotation Axis ◽  
Three Dimensional ◽  
Octahedral Geometry ◽  
Distorted Octahedral Geometry ◽  
Water Molecules ◽  
Supramolecular Architecture ◽  
Polymeric Complex ◽  
Distorted Octahedral

In the crystal of the title polymeric complex, [Cd(C12H8O4)(H2O)2]n, the CdIIcation, located on a twofold rotation axis, is coordinated by two water molecules and chelated by two phenylenediacrylate anions (mpda) in a distorted octahedral geometry. The mpda anions bridge the CdIIcations, forming helical chains propagating along thec-axis direction. The mpba anion has twofold symmetry with two benzene C atoms located on the twofold rotation axis. In the crystal, O—H...O hydrogen bonds link the polymeric helical chains into a three-dimensional supramolecular architecture.

scholarly journals Crystal structure of tetra-μ-acetato-bis[(5-amino-2-methylsulfanyl-1,3,4-thiadiazole-κN 1)copper(II)]

2019 ◽  
Vol 75 (8) ◽  
pp. 1239-1242
Author(s):  
Batirbay Torambetov ◽  
Shaxnoza Kadirova ◽  
Turdibek Toshmurodov ◽  
Jamshid Mengnorovich Ashurov ◽  
Nusrat Agzamovich Parpiev ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Octahedral Geometry ◽  
Distorted Octahedral Geometry ◽  
Methyl Groups ◽  
Acetate Monohydrate ◽  
Carboxylate Groups ◽  
Distorted Octahedral ◽  
Jahn Teller ◽  
Ring Motif

The reaction of 2-methylthio-5-amino-1,3,4-thiadiazole (Me-SNTD; C3H5N3S2) with copper(II) acetate monohydrate [Cu(OAc)2·H2O; C4H8CuO5] resulted in the formation of the title binuclear compound, [Cu2(C2H3O2)4(C3H5N3S2)2] or [Cu2(OAc)4(Me-SNTD)2]. The structure has triclinic (P \overline{1}) symmetry with a crystallographic inversion centre located at the midpoint of the line connecting the Cu atoms in the dimer. These two Cu atoms of the dimer [Cu...Cu = 2.6727 (6) Å] are held together by four carboxylate groups. Each Cu atom is further coordinated to the N atom of an Me-SNTD molecule and exhibits a Jahn–Teller-distorted octahedral geometry. The dimers are connected into infinite chains by hydrogen bonds between the NH (Me-SNTD) and the carboxylate groups of neighbouring molecules, generating an R 2 2(12) ring motif. The molecules are further linked by C—H...π interactions between the thiadiazole rings and the methyl groups of the acetate units.

scholarly journals Bis[trans-difluoridotetrakis(pyridine-κN)chromium(III)] sodium tetrachloridozincate perchlorate from synchrotron data

2014 ◽  
Vol 70 (7) ◽  
pp. m280-m280 ◽  
Author(s):  
Dohyun Moon ◽  
Keon Sang Ryoo ◽  
Jong-Ha Choi
Keyword(s):  
Hydrogen Bonds ◽  
Crystal Packing ◽  
Octahedral Geometry ◽  
Distorted Octahedral Geometry ◽  
Tetrahedral Geometry ◽  
Bond Lengths ◽  
Distorted Tetrahedral Geometry ◽  
Distorted Octahedral ◽  
The Mean ◽  
Supramolecular Chains

The title salt, Na[CrF2(C5H5N)4]2[ZnCl4]ClO4, consists of two cationic CrIIIcomplexes, an Na+cation, one [ZnCl4]2−anion and one ClO4−anion. The CrIIIatoms are coordinated by four pyridine (py) N atoms and two F atoms in atransarrangement, displaying a distorted octahedral geometry. The mean Cr—N(py) and Cr—F bond lengths are 2.086 (8) and 1.864 (14) Å, respectively. The [ZnCl4]2−anion has a distorted tetrahedral geometry. The most notable feature of the crystal packing is the formation of weak pyridine–perchlorate C—H...O hydrogen bonds, resulting in supramolecular chains along theb-axis direction. The perchlorate anion was disordered over two sets of sites in a 0.868 (3):0.132 (3) ratio.

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