scholarly journals Crystal structure of bis[(oxalato-κ2O1,O2)(1,4,8,11-tetraazacyclotetradecane-κ4N)chromium(III)] dichromate octahydrate from synchrotron X-ray data

2017 ◽  
Vol 73 (3) ◽  
pp. 403-406 ◽  
Author(s):  
Dohyun Moon ◽  
Jong-Ha Choi
Keyword(s):  
Crystal Structure ◽  
Three Dimensional ◽  
Distorted Octahedral Geometry ◽  
Water Molecules ◽  
Asymmetric Unit ◽  
Intermolecular Hydrogen Bonds ◽  
X Ray ◽  
Dimensional Network ◽  
Oxalate Ligand ◽  
Distorted Octahedral

The asymmetric unit of the title compound, [Cr(C2O4)(C10H24N4)]2[Cr2O7]·8H2O (C10H24N4= 1,4,8,11-tetraazacyclotetradecane, cyclam; C2O4= oxalate, ox) contains one [Cr(ox)(cyclam)]+cation, one half of a dichromate anion that lies about an inversion centre so that the bridging O atom is equally disordered over two positions, and four water molecules. The terminal O atoms of the dichromate anion are also disordered over two positions with a refined occupancy ratio 0.586 (6):0.414 (6). The CrIIIion is coordinated by the four N atoms of the cyclam ligand and one bidentate oxalato ligand in acisarrangement, resulting in a distorted octahedral geometry. The Cr—N(cyclam) bond lengths are in the range 2.069 (2)–2.086 (2) Å, while the average Cr—O(ox) bond length is 1.936 Å. The macrocyclic cyclam moiety adopts thecis-V conformation. The dichromate anion has a staggered conformation. The crystal structure is stabilized by intermolecular hydrogen bonds involving the cyclam N—H groups and water O—H groups as donors, and the O atoms of oxalate ligand, water molecules and the Cr2O72−anion as acceptors, giving rise to a three-dimensional network.

scholarly journals Crystal structure of 3,14-dimethyl-2,6,13,17-tetraazoniatricyclo[16.4.0.07,12]docosane tetrachloride tetrahydrate from synchrotron X-ray data

2018 ◽  
Vol 74 (8) ◽  
pp. 1039-1041
Author(s):  
Dohyun Moon ◽  
Jong-Ha Choi
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Synchrotron Radiation ◽  
Three Dimensional ◽  
Water Molecules ◽  
Inversion Symmetry ◽  
Asymmetric Unit ◽  
Intermolecular Hydrogen Bonds ◽  
X Ray ◽  
Dimensional Network

The crystal structure of the title salt, C20H44N4 4+·4Cl−·4H2O, has been determined using synchrotron radiation at 220 K. The structure determination reveals that protonation has occurred at all four amine N atoms. The asymmetric unit contains one half-cation (completed by crystallographic inversion symmetry), two chloride anions and two water molecules. There are two molecules in the unit cell. The Cl− anions and hydrate molecules are involved in hydrogen bonding. The crystal structure is stabilized by intermolecular hydrogen bonds involving the macrocycle N—H groups and water O—H groups as donors and the O atoms of the water molecules and the Cl− anions as acceptors, giving rise to a three-dimensional network.

scholarly journals Crystal structure of 3,14-diethyl-2,6,13,17-tetraazoniatricyclo[16.4.0.07,12]docosane tetrachloride tetrahydrate from synchrotron X-ray data

2021 ◽  
Vol 77 (2) ◽  
pp. 213-216
Author(s):  
Dohyun Moon ◽  
Jong-Ha Choi
Keyword(s):  
Crystal Structure ◽  
Synchrotron Radiation ◽  
Hydrogen Bonds ◽  
Three Dimensional ◽  
Water Molecules ◽  
Inversion Symmetry ◽  
Asymmetric Unit ◽  
Intermolecular Hydrogen Bonds ◽  
X Ray ◽  
Dimensional Network

The crystal structure of the hydrated title salt, C22H48N4 4+·4Cl−·4H2O (C22H48N4 = H4 L = 3,14-diethyl-2,6,13,17-tetraazoniatricyclo[16.4.0.07,12]docosane), has been determined using synchrotron radiation at 220 K. The structure determination reveals that protonation has occurred at all four amine N atoms. The asymmetric unit comprises one half of the macrocyclic cation (completed by crystallographic inversion symmetry), two chloride anions and two water molecules. The macrocyclic ring of the tetracation adopts an exodentate (3,4,3,4)-D conformation. The crystal structure is stabilized by intermolecular hydrogen bonds involving the macrocycle N—H groups and water O—H groups as donors, and the O atoms of the water molecules and chloride anions as acceptors, giving rise to a three-dimensional network.

scholarly journals Crystal structure of bis[cis-(1,4,8,11-tetraazacyclotetradecane-κ4N)bis(thiocyanato-κN)chromium(III)] dichromate monohydrate from synchrotron X-ray diffraction data

2017 ◽  
Vol 73 (1) ◽  
pp. 72-75 ◽  
Author(s):  
Dohyun Moon ◽  
Masahiro Takase ◽  
Takashiro Akitsu ◽  
Jong-Ha Choi
Keyword(s):  
Crystal Structure ◽  
Three Dimensional ◽  
Complex Salt ◽  
Water Molecules ◽  
X Ray Diffraction ◽  
Intermolecular Hydrogen Bonds ◽  
Rotation Symmetry ◽  
X Ray ◽  
Dimensional Network ◽  
Distorted Octahedral

The structure of the complex salt,cis-[Cr(NCS)2(cyclam)]2[Cr2O7]·H2O (cyclam = 1,4,8,11-tetraazacyclotetradecane, C10H24N4), has been determined from synchrotron data. The asymmetric unit comprises of one [Cr(NCS)2(cyclam)]+cation, one half of a Cr2O72−anion (completed by inversion symmetry) and one half of a water molecule (completed by twofold rotation symmetry). The CrIIIion is coordinated by the four cyclam N atoms and by two N atoms ofcis-arranged thiocyanate anions, displaying a distorted octahedral coordination sphere. The Cr—N(cyclam) bond lengths are in the range 2.080 (2) to 2.097 (2) Å while the average Cr—N(NCS) bond length is 1.985 (4) Å. The macrocyclic cyclam moiety adopts thecis-V conformation. The bridging O atom of the dichromate anion is disordered around an inversion centre, leading to a bending of the Cr—O—Cr bridging angle [157.7 (3)°]; the anion has a staggered conformation. The crystal structure is stabilized by intermolecular hydrogen bonds involving the cyclam N—H groups and water O—H groups as donor groups, and the O atoms of the Cr2O72−anion and water molecules as acceptor groups, giving rise to a three-dimensional network.

Bis[1,3-bis(1H-benzimidazol-2-yl)benzene-κN 3]bis(nitrato-κ2 O,O′)cadmium(II) dihydrate

2007 ◽  
Vol 63 (11) ◽  
pp. m2752-m2752 ◽  
Author(s):  
Fa-Yan Meng ◽  
Yi-Ming Zhang ◽  
Seik Weng Ng
Keyword(s):  
Crystal Structure ◽  
Three Dimensional ◽  
Octahedral Geometry ◽  
Title Complex ◽  
Distorted Octahedral Geometry ◽  
Water Molecules ◽  
Complex Molecules ◽  
Solvent Water ◽  
Dimensional Network ◽  
Distorted Octahedral

In the title complex, [Cd(NO3)2(C20H14N4)2]·2H2O, the CdII ion, which lies on a crystallographic twofold axis, is bis-chelated by two nitrate ligands and is coordinated by one tertiary N atom from each of two 1,3-bis(1H-benzimidazol-2-ylmethyl)benzene ligands in a distorted octahedral geometry. In the crystal structure, complex molecules and solvent water molecules are connected via hydrogen bonds to form a three-dimensional network.

scholarly journals Crystal structure of bis{N-[2-(dimethylamino)ethyl]quinolin-8-amine-κ3N,N′,N′′}nickel(II) dichloride 3.5-hydrate

2014 ◽  
Vol 70 (9) ◽  
pp. m339-m340
Author(s):  
Benson M. Kariuki ◽  
Abdul-Razak H. Al-Sudani
Keyword(s):  
Crystal Structure ◽  
Metal Ion ◽  
Complex Cation ◽  
Three Dimensional ◽  
Water Molecules ◽  
Asymmetric Unit ◽  
Hydrogen Bonding Interactions ◽  
Dimensional Network ◽  
Distorted Octahedral ◽  
Amine Ligands

In the title compound, [Ni(C13H17N3)2]Cl2·3.5H2O, the geometry of the NiN6complex cation is slightly distorted octahedral, with a facial arrangement of the two tridentateN-[2-(dimethylamino)ethyl]quinolin-8-amine ligands around the metal ion. The asymmetric unit consists of two independent complex half-molecules located on centres of inversion, together with two chloride counter-anions and 3.5 water molecules of solvation, one of which is disordered across an inversion centre. In the crystal, O—H...O, O—H...Cl and N—H...Cl hydrogen-bonding interactions form a three-dimensional network structure.

scholarly journals Crystal structure of tetraaquabis(thiocyanato-κN)nickel(II)–2,5-dimethylpyrazine (1/4)

2015 ◽  
Vol 71 (2) ◽  
pp. m18-m18 ◽  
Author(s):  
Stefan Suckert ◽  
Mario Wriedt ◽  
Inke Jess ◽  
Christian Näther
Keyword(s):  
Crystal Structure ◽  
Three Dimensional ◽  
Distorted Octahedral Geometry ◽  
Water Molecules ◽  
Complex Molecules ◽  
Dimensional Network ◽  
Distorted Octahedral ◽  
Thiocyanate Ligand ◽  
Water Ligands ◽  
Discrete Complex

In the crystal structure of the title compound, [Ni(NCS)2(H2O)4]·4C6H8N2, the NiIIcations are coordinated by four water ligands and twotrans-coordinated terminallyN-bonded thiocyanate anions in a slightly distorted octahedral geometry. The asymmetric unit consists of a Ni2+cation located on a centre of inversion, two water molecules and one thiocyanate ligand, as well as two uncoordinated 2,5-dimethylpyrazine ligands in general positions. In the crystal, discrete complex molecules are linked into a three-dimensional network by O—H...N hydrogen bonding between the water H atoms and the 2,5-dimethylpyrazine N atoms.

scholarly journals Crystal structure oftrans-(1,8-dibutyl-1,3,6,8,10,13-hexaazacyclotetradecane-κ4N3,N6,N10,N13)bis(perchlorato-κO)copper(II) from synchrotron data

2015 ◽  
Vol 71 (2) ◽  
pp. 136-138 ◽  
Author(s):  
Dae-Woong Kim ◽  
Jong Won Shin ◽  
Dohyun Moon
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Bond Length ◽  
Macrocyclic Ligand ◽  
Three Dimensional ◽  
Distorted Octahedral Geometry ◽  
Inversion Center ◽  
Asymmetric Unit ◽  
Dimensional Network ◽  
Distorted Octahedral

The structure of the title compound, [Cu(ClO4)2(C16H38N6)] has been determined from synchrotron data, λ = 0.62988 Å. The asymmetric unit comprises one half of the CuIIcomplex as the CuIIcation lies on an inversion center. It is coordinated by the four secondary N atoms of the macrocyclic ligand and the mutuallytransO atoms of the two perchlorate ions in a tetragonally distorted octahedral geometry. The average equatorial Cu—N bond length is significantly shorter than the average axial Cu—O bond length [2.010 (4) and 2.569 (1) Å, respectively]. Intramolecular N—H...O hydrogen bonds between the macrocyclic ligand and uncoordinating O atoms of the perchlorate ligand stabilize the molecular structure. In the crystal structure, an extensive series of intermolecular N—H...O and C—H...O hydrogen bonds generate a three-dimensional network.

scholarly journals Crystal structure of poly[[hexaqua-1κ4O,2κ2O-bis(μ3-pyridine-2,4-dicarboxylato-1κO2:2κ2N,O2′;1′κO4)cobalt(II)strontium(II)] dihydrate]

2015 ◽  
Vol 71 (9) ◽  
pp. m167-m168
Author(s):  
Zhaojun Yu ◽  
Peng Jiang ◽  
Yanmei Chen
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Three Dimensional ◽  
Distorted Octahedral Geometry ◽  
Water Molecules ◽  
Coordination Geometry ◽  
Polymeric Complex ◽  
Solvent Water ◽  
Dimensional Network ◽  
Distorted Octahedral

In the title polymeric complex, {[CoSr(C7H3NO4)2(H2O)6]·2H2O}n, the CoIIion, which is situated on a crystallographic centre of inversion, is six-coordinated by two O atoms and two N atoms from two pyridine-2,4-dicarboxylate (pydc2−) ligands and two terminal water molecules in a slightly distorted octahedral geometry, to form atrans-[Co(pydc)2(H2O)2]2−unit. The SrIIion, situated on aC2axis, is coordinated by four O atoms from four pydc2−ligands and four water molecules. The coordination geometry of the SrIIatom can be best described as a distorted dodecahedron. Each SrIIion bridges four [Co(pydc)2(H2O)2]2−units by four COO−groups of four pydc2−ligands to form a three-dimensional network structure. Two additional solvent water molecules are observed in the crystal structure and are connected to the three-dimensional coordination polymer by O—H...O hydrogen bonds. Further intra- and intermolecular O—H...O hydrogen bonds consolidate the overall structure.

scholarly journals 9-Aminoacridinium bis(pyridine-2,6-dicarboxylato-κ3 O 2,N,O 6)ferrate(III) tetrahydrate

2012 ◽  
Vol 68 (6) ◽  
pp. m761-m762 ◽  
Author(s):  
Masoud Mirzaei ◽  
Hossein Eshtiagh-Hosseini ◽  
Ehsan Eydizadeh ◽  
Zakieh Yousefi ◽  
Krešimir Molčanov
Keyword(s):  
Water Clusters ◽  
Three Dimensional ◽  
Octahedral Geometry ◽  
Distorted Octahedral Geometry ◽  
Water Molecules ◽  
Anionic Complex ◽  
Asymmetric Unit ◽  
Compound C ◽  
Dimensional Network ◽  
Distorted Octahedral

The asymmetric unit of the title compound, (C13H11N2)[Fe(C7H3NO4)2]·4H2O, contains a 9-aminoacridinium cation, one anionic complex and four uncoordinated water molecules. In the anionic complex, the FeIII ion is six-coordinated by two almost perpendicular [dihedral angle = 88.78 (7)°] pyridine-2,6-dicarboxylate ligands in a distorted octahedral geometry. In the crystal, anions are connected into chains along [10-1] by weak C—H...O interactions, which create ten-membered hydrogen-bonded R 2 2(10) rings. These chains are linked by three-membered water clusters. The final three-dimensional network is constructed by numerous intermolecular O—H...O and N—H...O interactions.

scholarly journals Crystal structure of 1,4,8,11-tetramethyl-1,4,8,11-tetraazoniacyclotetradecane bis(perchlorate) dichloride from synchrotron X-ray data

2020 ◽  
Vol 76 (3) ◽  
pp. 324-327 ◽  
Author(s):  
Dohyun Moon ◽  
Jong-Ha Choi
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Three Dimensional ◽  
Chloride Anion ◽  
Inversion Symmetry ◽  
Asymmetric Unit ◽  
Intermolecular Hydrogen Bonds ◽  
X Ray ◽  
Hydrogen Bonding Interactions ◽  
Dimensional Network

The crystal structure of title salt, C14H36N4 4+·2ClO4 −·2Cl−, has been determined using synchrotron radiation at 220 K. The structure determination reveals that protonation has occurred at all four amine N atoms. The asymmetric unit contains one half-cation (completed by crystallographic inversion symmetry), one perchlorate anion and one chloride anion. A distortion of the perchlorate anion is due to its involvement in hydrogen-bonding interactions with the cations. The crystal structure is consolidated by intermolecular hydrogen bonds involving the 1,4,8,11-tetramethyl-1,4,8,11-tetraazoniacyclotetradecane N—H and C—H groups as donor groups, and the O atoms of the perchlorate and chloride anion as acceptor groups, giving rise to a three-dimensional network.

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