scholarly journals Crystal structure of bis[μ-N-(η2-prop-2-en-1-yl)piperidine-1-carbothioamide-κ2 S:S]bis[(thiocyanato-κN)copper(I)]

2020 ◽  
Vol 76 (11) ◽  
pp. 1712-1715
Author(s):  
Takeshi Tanaka ◽  
Yukiyasu Kashiwagi ◽  
Masami Nakagawa
Keyword(s):  
Crystal Structure ◽  
Double Bond ◽  
Nitrogen Atom ◽  
Hydrogen Bonds ◽  
Sulfur Atom ◽  
Two Dimensions ◽  
Crystalline Compound ◽  
Dimeric Molecule ◽  
Tetrahedral Geometry ◽  
Distorted Tetrahedral Geometry

The title crystalline compound, [Cu2(NCS)2(C9H16N2)2], was obtained from the reaction of copper(I) thiocyanate (CuSCN) with (N-prop-2-en-1-yl)piperidine-1-carbothioamide as a chelating and bridging thiourea ligand in chlorobenzene. The Cu2S2 core of the dimeric molecule is situated on a crystallographic inversion centre. The copper atom is coordinated by a thiocyanate nitrogen atom, each sulfur atom of the two thiourea ligands, and the C=C double bond of the ligand in a distorted tetrahedral geometry. The dimers are linked by N—H...S hydrogen bonds, forming a network extending in two dimensions parallel to (100).

scholarly journals Poly[(μ2-benzene-1,3-dicarboxylato-κ2 O 1:O 3){μ2-1,2-bis[(1H-imidazol-1-yl)methyl]benzene-κ2 N 3:N 3′}zinc]

2012 ◽  
Vol 68 (6) ◽  
pp. m826-m826
Author(s):  
Hong Chen ◽  
Heng Xu
Keyword(s):  
Crystal Structure ◽  
Coordination Polymer ◽  
Hydrogen Bonds ◽  
Layer Structure ◽  
Dihedral Angles ◽  
Two Dimensional ◽  
Neutral Ligand ◽  
Tetrahedral Geometry ◽  
Distorted Tetrahedral Geometry ◽  
Methyl Benzene

In the two-dimensional title coordination polymer, [Zn(C8H4O4)(C14H14N4)] n , the ZnII atom adopts a distorted tetrahedral geometry, being ligated by two O atoms from two different benzene-1,3-dicarboxylate dianions and two N atoms from two symmetry-related 1,2-bis(imidazol-1-ylmethyl)benzene molecules. The dihedral angles between the imidazole rings and the benzene ring in the neutral ligand are 76.31 (13) and 85.33 (15)°. The ZnII atoms are bridged by dicarboxylate ligands, forming chains parallel to the a axis, which are further linked by 1,2-bis(imidazol-1-ylmethyl)benzene molecules, generating a two-dimensional layer structure parallel to the ac plane. The crystal structure is enforced by intralayer and interlayer C—H...O hydrogen bonds.

scholarly journals Bis(2-amino-3-methylpyridine-κN1)dichloridomercury(II)

2012 ◽  
Vol 68 (8) ◽  
pp. m1099-m1099 ◽  
Author(s):  
Azadeh Tadjarodi ◽  
Keyvan Bijanzad ◽  
Behrouz Notash
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Rotation Axis ◽  
Complex Molecule ◽  
Tetrahedral Geometry ◽  
Distorted Tetrahedral Geometry

In the title compound, [HgCl2(C6H8N2)2], the two independent HgIIcations are each located on a twofold rotation axis and coordinated by two pyridine N atoms from two 2-amino-3-methylpyridine ligands and two Cl−anions in a distorted tetrahedral geometry. An intramolecular N—H...Cl hydrogen bond occurs in each independent complex molecule. Intermolecular N—H...Cl hydrogen bonds occur in the crystal structure.

scholarly journals Crystal structure of bis(thiourea-κS)bis(triphenylphosphane-κP)silver(I) nitrate

2015 ◽  
Vol 71 (2) ◽  
pp. 220-222 ◽  
Author(s):  
Sidra Nawaz ◽  
Muhammad Nawaz Tahir ◽  
Muhammad Amir Nadeem ◽  
Bushra Mehmood ◽  
Saeed Ahmad
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Tetrahedral Geometry ◽  
Bond Angles ◽  
Distorted Tetrahedral Geometry

In the title salt, [Ag(CH4N2S)2(PPh3)2]NO3, the AgIatom is coordinated by two thiourea S atoms and two triphenylphosphane P atoms in a distorted tetrahedral geometry, with bond angles in the range 102.90 (4)–123.29 (4)°. The Ag—S=C bond angles are 101.75 (19) and 111.29 (18)°. In the crystal, the component ions are linked by C—H...O, C—H...S, N—H...O and N—H...S hydrogen bonds, generating (10-1) sheets.

scholarly journals S-Diethylamino-S-(3-methylbenzoylimino)-S,S-diphenylsulfonium tetrafluoroborate

IUCrData ◽  
2019 ◽  
Vol 4 (7) ◽  
Author(s):  
Md Chanmiya Sheikh ◽  
Toshiaki Yoshimura ◽  
Ryuta Miyatake ◽  
Soichiro Hanawa
Keyword(s):  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Sulfur Atom ◽  
Three Dimensional ◽  
Tetrahedral Geometry ◽  
Torsion Angles ◽  
Distorted Tetrahedral Geometry ◽  
Dimensional Network ◽  
Phenyl Rings

The title salt, C24H27N2OS+·BF4 −, was prepared by an alkylation at the amino N atom attached to the sulfur atom of the corresponding sulfodiimide. The configuration around the sulfur atom is a slightly distorted tetrahedral geometry with two S—N bonds and two S—C bonds. The lengths of the S—N(diethylamine) and S=N(m-methylbenzoylimine) bonds are 1.619 (2) and 1.551 (2) Å, respectively. The two N—S—N—C(ethyl) and the N—S—N—C(m-methylbenzoylimine) torsion angles are −85.43 (3), 58.94 (17) and 62.03 (16)°, respectively. The dihedral angle between the two phenyl rings is 84.03 (14)°. In the crystal, C—H...F hydrogen bonds link the cation and anion, forming a three-dimensional network.

scholarly journals Crystal structure of bis(tetramethylthiourea-κS)bis(thiocyanato-κN)cobalt(II)

2020 ◽  
Vol 76 (8) ◽  
pp. 1373-1377 ◽  
Author(s):  
Aleksej Jochim ◽  
Rastko Radulovic ◽  
Inke Jess ◽  
Christian Näther
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Coordination Compounds ◽  
Crystal Data ◽  
Pxrd Pattern ◽  
Tetrahedral Geometry ◽  
Axis Direction ◽  
Distorted Tetrahedral Geometry ◽  
Thermoanalytical Investigations ◽  
Pure Phase

In the course of systematic investigations on the synthesis of Co(NCS)2 coordination compounds with different thiourea ligands, the title compound, [Co(NCS)2(C5H12N2S)2], was obtained. In this compound the CoII cations are coordinated by two crystallographically independent N-bonded thiocyanate anions and two tetramethylthiourea ligands into discrete complexes that are located in general positions and show a strongly distorted tetrahedral geometry. Intermolecular C—H...S hydrogen bonds of different strength can be observed between the discrete complexes, which are connected by pairs of hydrogen bonds into zigzag-like chains that elongate in the b-axis direction. These chains are additionally linked by strong C—H...S hydrogen bonds along the a-axis direction, resulting in the formation of layers that are parallel to the ab plane. There is also one weak intramolecular C—H...S hydrogen bond between two neighbouring thiourea ligands within the complexes. Comparison of the experimental PXRD pattern with that calculated from the single-crystal data prove that a pure phase has been obtained. Thermoanalytical investigations reveal that this compound melts at 364 K and decomposes upon further heating.

scholarly journals Crystal structure of bis[2-(1H-benzimidazol-2-yl)-4-bromophenolato-κ2N3,O]cobalt(II)

2014 ◽  
Vol 70 (11) ◽  
pp. m363-m364 ◽  
Author(s):  
Yan Fan ◽  
Zhi-Rong Qu
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Three Dimensional ◽  
Supramolecular Network ◽  
Asymmetric Unit ◽  
Aromatic Rings ◽  
Tetrahedral Geometry ◽  
Distorted Tetrahedral Geometry ◽  
The Mean ◽  
Independent Molecules

The asymmetric unit of the title CoIIcomplex, [Co(C13H8BrN2O)2], contains two independent molecules (AandB). In both molecules, the CoIIcation isN,O-chelated by two 2-(1H-benzimidazol-2-yl)-4-bromophenolate anions in a distorted tetrahedral geometry. In moleculeA, both chelating rings display an envelope conformation, with the flap Co atom lying 0.614 (6) and 0.483 (6) Å from the mean planes of the remaining atoms. In moleculeB, both chelating rings are approximately planar, the maximum deviations being 0.039 (4) and 0.076 (3) Å. In the crystal, molecules are linked by classical N—H...O hydrogen bonds and weak C—H...O and C—H...Br hydrogen bonds into a three-dimensional supramolecular network. Extensive π–π stacking is observed between nearly parallel aromatic rings of adjacent molecules with centroid–centroid distances in the range 3.407 (3)–3.850 (4) Å.

scholarly journals Crystal structure of bis[trans-(ethane-1,2-diamine-κ2N,N′)bis(thiocyanato-κN)chromium(III)] tetrachloridozincate from synchrotron data

2015 ◽  
Vol 71 (1) ◽  
pp. 100-103 ◽  
Author(s):  
Dohyun Moon ◽  
Jong-Ha Choi
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Octahedral Geometry ◽  
Distorted Octahedral Geometry ◽  
Inversion Symmetry ◽  
Asymmetric Unit ◽  
Intermolecular Hydrogen Bonds ◽  
Tetrahedral Geometry ◽  
Distorted Tetrahedral Geometry ◽  
Distorted Octahedral

The structure of the title compound, [Cr(NCS)2(C2H8N2)2]2[ZnCl4], has been determined from synchrotron data. In the asymmetric unit, there are four independent halves of the CrIIIcomplex cations, each of which lies on an inversion centre, and one tetrachloridozincate anion in a general position. The CrIIIatoms are coordinated by the four N atoms of two ethane-1,2-diamine (en) ligands in the equatorial plane and two N-bound NCS−anions in atransarrangement, displaying a slightly distorted octahedral geometry with crystallographic inversion symmetry. The Cr—N(en) and Cr—N(NCS) bond lengths range from 2.0653 (10) to 2.0837 (10) Å and from 1.9811 (10) to 1.9890 (10) Å, respectively. The five-membered metalla-rings are in stablegaucheconformations. The [ZnCl4]2−anion has a distorted tetrahedral geometry. The crystal structure is stabilized by intermolecular hydrogen bonds involving the en NH2or CH2groups as donors and chloride ligands of the anion and S atoms of NCS−ligands as acceptors.

scholarly journals Crystal structure of 1-[2-(diethylazaniumyl)ethyl]-3-methylimidazolium tetrachloridocuprate(II)

2015 ◽  
Vol 71 (5) ◽  
pp. m110-m111 ◽  
Author(s):  
Gerhard Laus ◽  
Volker Kahlenberg ◽  
Herwig Schottenberger
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Tetrahedral Geometry ◽  
Distorted Tetrahedral Geometry ◽  
Compound C

The title compound, (C10H21N3)[CuCl4], is composed of one 1-[2-(diethylazaniumyl)ethyl]-3-methylimidazolium dication and a tetrachloridocuprate(II) dianion. The anion adopts a distorted tetrahedral geometry. Bifurcated interionic N—H...Cl hydrogen bonds and several C—H...Cl contacts are observed, leading to a layer-like arrangement of the components parallel to (100).

[μ-10,21-Difluoro-3,6,14,17-tetrazatricyclo[17.3.1.18,12]tetracosa-1(23),2,6,8,10,12(24),13,17,19,21-decaene-23,24-diolato-κ4 N 3,N 6,O 23,O 24:κ4 N 14,N 17,O 23,O 24]bis[methanolcopper(II)] bis(perchlorate)

2007 ◽  
Vol 63 (11) ◽  
pp. m2641-m2641 ◽  
Author(s):  
Jun-Lin Bai ◽  
Hong Zhou ◽  
Zhi-Quan Pan ◽  
Xiang-Gao Meng
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Copper Complex ◽  
Title Complex ◽  
Tetrahedral Geometry ◽  
Intramolecular Hydrogen Bonds ◽  
Dinuclear Copper ◽  
Distorted Tetrahedral Geometry ◽  
O 24 ◽  
Intramolecular Hydrogen

The title complex, [Cu2(C20H16F2N4O2)(CH4O)2](ClO4)2, was synthesized by cyclo-condensation between ethylenediamine and 2,6-diformyl-4-fluorophenol in the presence of CuII ions. This dinuclear copper complex is centrosymmetric. Both Cu atoms are in a distorted tetrahedral geometry, coordinated by three O atoms and two N atoms. The two Cu atoms are bridged by two endogenous phenol O atoms, with a Cu...Cu distance of 2.8998 (7) Å. In the crystal structure, the perchlorate ions link the macrocycles through inter- and intramolecular hydrogen bonds.

scholarly journals Crystal structure of a one-dimensional looped-chain silver(I) coordination polymer:catena-poly[[silver(I)-bis{μ-4-[1-(5′-isopropyl-[1,1′:3′,1′′-terphenyl]-2′-yl)-1H-imidazol-2-yl]pyridine-κ2N:N′}] nitrate methanol monosolvate monohydrate]

2016 ◽  
Vol 72 (7) ◽  
pp. 972-975
Author(s):  
Suk-Hee Moon ◽  
Ki-Min Park ◽  
Youngjin Kang
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Chain Structure ◽  
Dihedral Angles ◽  
Supramolecular Network ◽  
Two Dimensional ◽  
Tetrahedral Geometry ◽  
One Dimensional ◽  
Distorted Tetrahedral Geometry ◽  
Centroid Distance

In the title compound, {[Ag(C29H25N3)2]NO3·CH3OH·H2O}n, the AgIcation is four-coordinated by two pyridine N atoms and two imidazole N atoms from four individual 4-(1-(5′-isopropyl-[1,1′:3′,1′′-terphenyl]-2′-yl)-1H-imidazol-2-yl)pyridine (i-pro-pyim) ligands. This gives rise to a highly distorted tetrahedral geometry with bond angles falling in the range 100.33 (19)–122.76 (19)°. Two crystallographically independenti-pro-pyim ligands (AandB) adopt very similar conformations to one another, such that the dihedral angles between the pyridyl and imidazolyl rings in the two ligands are 40.7 (3) and 42.2 (3)°, respectively. Eachi-pro-pyim ligand binds two symmetry-related Ag+cations, leading to the formation of 14-membered cyclic dimers, in which the AgIatoms are separated by 6.963 (2) Å for the Ag–A2–Ag dimer and 7.020 (2) Å for Ag–B2–Ag. These cyclic dimers are alternately connected to each other by sharing AgIatoms, resulting in the formation of a looped-chain structure extending along the [100] direction. Moreover, adjacent looped chains are connected by intermolecular π–π interactions [centroid-to-centroid distance = 3.689 (4) Å], giving rise to the formation of a two-dimensional supramolecular network propagating parallel to (110). Several intermolecular C—H...O and O—H...O hydrogen bonds further contribute to the stabilization of the crystal structure.

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