scholarly journals Crystal structure of bis[μ-1,4-bis(diphenylphosphanyl)butane-κ2P:P′]bis[(3,4,7,8-tetramethyl-1,10-phenanthroline-κ2N,N′)copper(I)] bis(hexafluoridophosphate) dichloromethane disolvate

2016 ◽  
Vol 72 (11) ◽  
pp. 1554-1556
Author(s):  
Michihiro Nishikawa ◽  
Kotaro Mutsuura ◽  
Taro Tsubomura
Keyword(s):  
Crystal Structure ◽  
Title Compound ◽  
Membered Ring ◽  
Inversion Symmetry ◽  
Tetrahedral Geometry ◽  
Π Interactions ◽  
Distorted Tetrahedral Geometry ◽  
Phenanthroline Ligand

The dication of the title compound, [Cu2(C28H28P2)2(C16H16N2)2](PF6)2·2CH2Cl2, has crystallographically imposed inversion symmetry. The copper(I) cation is coordinated in a distorted tetrahedral geometry by two N atoms of a chelating 3,4,7,8-tetramethyl-1,10-phenanthroline ligand and two P atoms of two bridging 1,4-bis(diphenylphosphanyl)butane ligands, forming a 14-membered ring. An intramolecular π–π interaction stabilizes the conformation of the dication. In the crystal, dications are linked by π–π interactions involving adjacent phenanthroline rings, forming chains running parallel to [111]. Weak C—H...F hydrogen interactions are also observed.

scholarly journals Triprolidinium dichloranilate–chloranilic acid–methanol–water (2/1/2/2)

2012 ◽  
Vol 68 (4) ◽  
pp. o1037-o1038 ◽  
Author(s):  
A. S. Dayananda ◽  
Ray J. Butcher ◽  
Mehmet Akkurt ◽  
H. S. Yathirajan ◽  
B. Narayana
Keyword(s):  
Crystal Structure ◽  
Title Compound ◽  
Solvent Molecule ◽  
Site Occupancy ◽  
Symmetry Element ◽  
Inversion Symmetry ◽  
Acid Molecule ◽  
Chloranilic Acid ◽  
Π Interactions ◽  
Benzene Rings

In the triprolidinium cation of the title compound {systematic name: 2-[1-(4-methylphenyl)-3-(pyrrolidin-1-ium-1-yl)prop-1-en-1-yl]pyridin-1-ium bis(2,5-dichloro-4-hydroxy-3,6-dioxocyclohexa-1,4-dien-1-olate)–2,5-dichloro-3,6-dihydroxycyclohexa-2,5-diene-1,4-dione–methanol–water (2/1/2/2)}, C19H24N22+·2C6HCl2O4−·0.5C6H2Cl2O4·CH3OH·H2O, the N atoms on both the pyrrolidine and pyridine groups are protonated. The neutral chloranilic acid molecule is on an inversion symmetry element and its hydroxy H atoms are disordered over two positions with site-occupancy factors of 0.53 (6) and 0.47 (6). The methanol solvent molecule is disordered over two positions in a 0.836 (4):0.164 (4) ratio. In the crystal, N—H...O, O—H...O and C—H...O interactions link the components. The crystal structure also features π–π interactions between the benzene rings [centroid–centroid distances = 3.5674 (15), 3.5225 (15) and 3.6347 (15) Å].

scholarly journals Bis[5-methoxy-2-(methoxycarbonyl)phenyl] methylphosphonate

2014 ◽  
Vol 70 (3) ◽  
pp. o269-o269
Author(s):  
Saghir Hussain ◽  
Yang Deli ◽  
Shagufta Parveen ◽  
Xin Hao ◽  
Changjin Zhu
Keyword(s):  
Crystal Structure ◽  
Dihedral Angle ◽  
Intermolecular Interactions ◽  
Tetrahedral Geometry ◽  
Π Interactions ◽  
Distorted Tetrahedral Geometry ◽  
Benzene Rings

In the title phosphonate, C19H21O9P, the dihedral angle between the benzene rings is 63.33 (3)°, and the P atom has a distorted tetrahedral geometry, with angles in the range 101.30 (6)–120.38 (6)°. No significant intermolecular interactions are observed in the crystal structure, and π–π interactions between symmetry-related benzene rings are beyond 4 Å.

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 di-n-butylbis(η5-pentamethylcyclopentadienyl)hafnium(IV)

2015 ◽  
Vol 71 (2) ◽  
pp. m19-m20
Author(s):  
Perdita Arndt ◽  
Kathleen Schubert ◽  
Vladimir V. Burlakov ◽  
Anke Spannenberg ◽  
Uwe Rosenthal
Keyword(s):  
Crystal Structure ◽  
Title Compound ◽  
Component Ratio ◽  
Diffraction Experiment ◽  
Asymmetric Unit ◽  
Tetrahedral Geometry ◽  
Bond Lengths ◽  
Distorted Tetrahedral Geometry ◽  
Independent Molecules

The crystal structure of the title compound, [Hf(C10H15)2(C4H9)2], reveals two independent molecules in the asymmetric unit. The diffraction experiment was performed with a racemically twinned crystal showing a 0.529 (5):0.471 (5) component ratio. Each HfIVatom is coordinated by two pentamethylcyclopentadienyl and twon-butyl ligands in a distorted tetrahedral geometry, with the cyclopentadienyl rings inclined to one another by 45.11 (15) and 45.37 (16)°. In contrast to the isostructural di(n-butyl)bis(η5-pentamethylcyclopentadienyl)zirconium(IV) complex with a noticeable difference in the Zr–butyl bonding, the Hf—Cbutylbond lengths differ from each other by no more than 0.039 (3) Å.

Diethyl 7,12-dihydro-8-iodo-6,13-dioxo-cis-7H,11H-2,4-dioxa-5a,6a,12a,13a-tetraazabenz[f]cycloocta[cd]azulene-13b,13c-dicarboxylate

2006 ◽  
Vol 62 (7) ◽  
pp. o2738-o2740
Author(s):  
Yun-Feng Chen ◽  
Yu-Zhou Wang ◽  
Hui-Zhen Guo ◽  
Yi-Tao Li
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Membered Ring ◽  
The Other ◽  
Π Interactions ◽  
Compound C ◽  
Methylene Groups ◽  
Methylene Group

The title compound, C21H23IN4O8, is a glycoluril derivative with five fused rings. An iodobenzene ring is fused to a seven-membered ring which binds two of the N atoms from separate rings of the glycoluril system. The other N atoms are linked via methylene groups to form an eight-membered ring with two ether O atoms separated by an additional methylene group. The crystal structure is stabilized by inversion-related C—H...π interactions together with C—H...O non-classical hydrogen bonds.

scholarly journals Crystal structure of 3,6-bis(2-chlorophenyl)-1,2,4,5-tetrazine: the acaricide clofentezine

2014 ◽  
Vol 70 (10) ◽  
pp. o1135-o1135 ◽  
Author(s):  
Gihaeng Kang ◽  
Seonghwa Cho ◽  
Sangjin Lee ◽  
Tae Ho Kim
Keyword(s):  
Crystal Structure ◽  
Dihedral Angle ◽  
Title Compound ◽  
Inversion Symmetry ◽  
Axis Direction ◽  
Π Interactions ◽  
Compound C ◽  
Centroid Distance ◽  
Normal Distance

The whole molecule of the title compound, C14H8Cl2N4, is generated by inversion symmetry. The dihedral angle between the 2-chlorophenyl ring and the tetrazine ring is 47.65 (5)°. In the crystal, molecules are linked by slipped parallel π–π interactions [centroid–centroid distance = 3.8199 (5), normal distance = 3.3127 (8), slippage 1.902 Å] forming columns along thea-axis direction.

(2,2-Dimethyl-α,α,α′,α′-tetraphenyl-1,3-dioxolane-4,5-dimethanolato-κ2 O 4,O 5)ethyl(tetrahydrofuran-κO)aluminium(III)

2007 ◽  
Vol 63 (11) ◽  
pp. m2665-m2666
Author(s):  
Chien-An Chen ◽  
Kuo-Hui Wu ◽  
Han-Mou Gau
Keyword(s):  
Metal Atom ◽  
Title Compound ◽  
Bond Angle ◽  
Membered Ring ◽  
Metal Centre ◽  
Tetrahedral Geometry ◽  
Distorted Tetrahedral Geometry ◽  
Tetrahedral Angle ◽  
The Ideal

The title compound, [Al(C2H5)(C31H28O4)(C4H8O)], has a slightly distorted tetrahedral geometry around the AlIII metal centre. The bidentate TADDOLate ligand and the AlIII metal atom form a seven-membered ring, with an O—Al—O angle of 111.19 (10)°, which is close to the ideal tetrahedral angle. The Al—O—C(alkoxide) angles of 139.17 (17) and 137.95 (17)° are larger than the sp 3 bond angle, suggesting substantial π-donation of the alkoxide O atom to the AlIII metal centre.

scholarly journals Synthesis, characterization and crystal structure of a 2-(diethylaminomethyl)indole ligated dimethylaluminium complex

2015 ◽  
Vol 71 (10) ◽  
pp. 1222-1225
Author(s):  
Logan E. Shephard ◽  
Nicholas B. Kingsley
Keyword(s):  
Crystal Structure ◽  
Title Compound ◽  
High Yield ◽  
Asymmetric Unit ◽  
Aluminium Atom ◽  
Tetrahedral Geometry ◽  
Axis Direction ◽  
Π Interactions ◽  
Independent Molecules ◽  
Methane Elimination

The title compound, [Al(CH3)2(C13H17N2)] (systematic name; {2-[(diethylamino)methyl]indol-1-yl-κ2N,N′}dimethylaluminium), was prepared by methane elimination from the reaction of 2-(diethylaminomethyl)indole and trimethylaluminium. The complex crystallizes readily from a concentrated toluene solution in high yield. The asymmetric unit contains two crystallographically independent molecules. Each molecule has a four-coordinate aluminium atom that has pseudo-tetrahedral geometry. C—H...π interactions link the independent molecules into chains extending along theb-axis direction.

scholarly journals 2,2′-(Hexane-1,6-diyl)diisoquinolinium tetrachloridozincate(II)

2009 ◽  
Vol 65 (6) ◽  
pp. m655-m655 ◽  
Author(s):  
Pei-Hua Ma ◽  
Zhi-Fang Fan ◽  
Yun-Qian Zhang ◽  
Xin Xiao ◽  
Sai-Feng Xue
Keyword(s):  
Crystal Structure ◽  
Title Compound ◽  
Dihedral Angles ◽  
Stacking Interactions ◽  
Asymmetric Unit ◽  
Tetrahedral Geometry ◽  
Distorted Tetrahedral Geometry ◽  
Compound C ◽  
Centroid Distance ◽  
Complex Anions

The asymmetric unit of the title compound, (C24H26N2)[ZnCl4], consists of two 2,2′-(hexane-1,6-diyl)diisoquinolinium cations and two [ZnCl4]2−complex anions. The [ZnCl4]2−anions have a distorted tetrahedral geometry. The dihedral angles between the isoquinoline rings of the two cations are nearly equal [16.1 (2) and 16.3 (2)°]. In the crystal structure, the ordered linear formation is aggregated by weak intermolecular π–π stacking interactions between neighboring isoquinoline pyridine rings with a centroid–centroid distance of 3.779 (4) Å.

Bis[1-(but-2-enyl)-5-nitro-1H-benzimidazole-κN 3]dichlorocobalt(II)

2006 ◽  
Vol 62 (7) ◽  
pp. m1663-m1665 ◽  
Author(s):  
Şerife Pınar ◽  
Mehmet Akkurt ◽  
Hasan Küçükbay ◽  
Ersin Orhan ◽  
Orhan Büyükgüngör
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Title Compound ◽  
Rotation Axis ◽  
Tetrahedral Geometry ◽  
Distorted Tetrahedral Geometry ◽  
Hydrogen Bonding Interactions ◽  
Cobalt Dichloride ◽  
Cl Atoms

The title compound, [CoCl2(C11H11N3O2)2], was synthesized from 1-(but-2-enyl)-5-nitrobenzimidazole and cobalt dichloride in ethanol. The CoII atom has a distorted tetrahedral geometry, coordinated by two Cl atoms and two N atoms. The molecule is located on a twofold rotation axis, which passes through the Co atom. In the crystal structure, molecules are connected by intermolecular C—H...O hydrogen-bonding interactions.

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