scholarly journals Crystal structure of bis(benzoato-κO)[5,15-diphenyl-10,20-bis(pyridin-4-yl)porphyrinato-κ4 N,N′,N′′,N′′′]tin(IV)

IUCrData ◽  
2019 ◽  
Vol 4 (6) ◽  
Author(s):  
Nirmal K. Shee ◽  
Chang-Ju Lee ◽  
Hee-Joon Kim
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Network Structure ◽  
Equatorial Plane ◽  
Title Compound ◽  
Three Dimensional ◽  
Title Complex ◽  
Porphyrin Ring ◽  
Ring Form ◽  
Dimensional Network

In the crystal structure of the title compound, [Sn(C42H26N6)(C7H5O2)2], the SnIV ion is located on a crystallographic inversion centre and is octahedrally coordinated with an N4O2 set. Four N atoms of the porphyrin ring form the equatorial plane while the axial positions are occupied by two O atoms from benzoate anions. The molecular packing of the title complex involves non-classical hydrogen bonds of the types C—H...O and C—H...N, leading to a three-dimensional network structure.

scholarly journals Crystal structure of bis{2-[(2-hydroxyethyl)amino]ethanol-κ3O,N,O′}copper(II) terephthalate

2014 ◽  
Vol 70 (11) ◽  
pp. m372-m373 ◽  
Author(s):  
Ya-Ping Li ◽  
Dajun Sun ◽  
Julia Ming ◽  
Liying Han ◽  
Guan-Fang Su
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Network Structure ◽  
Equatorial Plane ◽  
Three Dimensional ◽  
Teller Distortion ◽  
Dimensional Network ◽  
Jahn Teller ◽  
Molecular Components ◽  
Jahn Teller Distortion

The molecular components of the title salt, [Cu(C4H11NO2)2](C8H4O4), are one CuIIcationO,N,O′-chelated by two tridentate 2-[(2-hydroxyethyl)amino]ethanol ligands, and a terephthalate counter-dianion, located about a centre of inversion. The complex CuIIcation is located about a centre of inversion and shows typical Jahn–Teller distortion, with two short Cu—O and two short Cu—N bonds in the equatorial plane and two long Cu—O bonds to the axial atoms. The cations are arranged in sheets parallel to (100), with the centrosymmetric terephthalate anions located between the sheets. Each anion is the acceptor of four O—H...O and two N—H...O hydrogen bonds, forming a three-dimensional network structure.

scholarly journals Crystal structure of 5-[(4-carboxybenzyl)oxy]isophthalic acid

2016 ◽  
Vol 72 (8) ◽  
pp. 1219-1222
Author(s):  
Md. Serajul Haque Faizi ◽  
Musheer Ahmad ◽  
Akram Ali ◽  
Vadim A. Potaskalov
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Three Dimensional ◽  
Molecular Shape ◽  
Isophthalic Acid ◽  
Compound C ◽  
Dimensional Network ◽  
Benzene Rings

The molecular shape of the title compound, C16H12O7, is bent around the central CH2—O bond. The two benzene rings are almost perpendicular to one another, making a dihedral angle of 87.78 (7)°. In the crystal, each molecule is linked to three others by three pairs of O—H...O hydrogen bonds, forming undulating sheets parallel to thebcplane and enclosingR22(8) ring motifs. The sheets are linked by C—H...O hydrogen bonds and C—H...π interactions, forming a three-dimensional network.

scholarly journals Crystal structure of 2-bromo-1,4-dihydroxy-9,10-anthraquinone

2014 ◽  
Vol 70 (10) ◽  
pp. o1130-o1130 ◽  
Author(s):  
Wataru Furukawa ◽  
Munenori Takehara ◽  
Yoshinori Inoue ◽  
Chitoshi Kitamura
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Three Dimensional ◽  
Stacking Interactions ◽  
Compound C ◽  
Π Stacking ◽  
Dimensional Network

In an attempt to brominate 1,4-dipropoxy-9,10-anthraquinone, a mixture of products, including the title compound, C14H7BrO4, was obtained. The molecule is essentially planar (r.m.s. deviation = 0.029 Å) and two intramolecular O—H...O hydrogen bonds occur. In the crystal, the molecules are linked by weak C—H...O hydrogen bonds, Br...O contacts [3.240 (5) Å], and π–π stacking interactions [shortest centroid–centroid separation = 3.562 (4) Å], generating a three-dimensional network.

4-Bromo-N-(3,4-methylenedioxybenzyl)aniline

2007 ◽  
Vol 63 (11) ◽  
pp. o4404-o4404 ◽  
Author(s):  
Shu-Ping Yang ◽  
Li-Jun Han ◽  
Da-Qi Wang ◽  
Hai-Tao Xia
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Network Structure ◽  
Title Compound ◽  
Three Dimensional ◽  
Compound C ◽  
Dimensional Network

In the title compound, C14H12BrNO2, the molecules are linked by one C—H...Br hydrogen bond, so forming a C(13) chain running parallel to the [010] direction, and these chains are linked by further C—H...π and C—H...Br hydrogen bonds, resulting in a three-dimensional network structure.

scholarly journals Crystal structure of β-D,L-fructose

2015 ◽  
Vol 71 (10) ◽  
pp. o719-o720 ◽  
Author(s):  
Tomohiko Ishii ◽  
Tatsuya Senoo ◽  
Akihide Yoshihara ◽  
Kazuhiro Fukada ◽  
Genta Sakane
Keyword(s):  
Crystal Structure ◽  
Aqueous Solution ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Three Dimensional ◽  
Equimolar Mixture ◽  
Compound C ◽  
Dimensional Network ◽  
Hydroxy Groups

The title compound, C6H12O6, was crystallized from an aqueous solution of equimolar mixture of D- and L-fructose (1,3,4,5,6-pentahydroxyhexan-2-one,arabino-hexulose or levulose), and it was confirmed that D-fructose (or L-fructose) formed β-pyranose with a2C5(or5C2) conformation. In the crystal, two O—H...O hydrogen bonds between the hydroxy groups at the C-1 and C-3 positions, and at the C-4 and C-5 positions connect homochiral molecules into a column along theaaxis. The columns are linked by other O—H...O hydrogen bonds between D- and L-fructose molecules, forming a three-dimensional network.

scholarly journals Dipotassium tetrahydroxidopentaoxidotetraborate monohydrate

IUCrData ◽  
2019 ◽  
Vol 4 (1) ◽  
Author(s):  
M. K. Dhatchaiyini ◽  
M. NizamMohideen ◽  
G. Rajasekar ◽  
A. Bhaskaran
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Coordination Number ◽  
Title Compound ◽  
Three Dimensional ◽  
Compound K ◽  
Bond Lengths ◽  
Dimensional Network

In the tetraborate anion of the title compound, K2[B4O5(OH)4]·H2O, the bridging B—O bond lengths of the tetrahedral BO4 and the trigonal-planar BO3 units are slightly longer than the corresponding terminal B—OH bond lengths. The crystal structure is stabilized by intermolecular O—H...O, O—H...Owater and Owater—H...O hydrogen bonds, generating a three-dimensional network. The two potassium cations both show a coordination number of 9.

scholarly journals Crystal structure of trihydrogen bis{[1,1,1-tris(2-oxidoethylaminomethyl)ethane]cobalt(III)} trinitrate

2015 ◽  
Vol 71 (12) ◽  
pp. m275-m276 ◽  
Author(s):  
Waqas Sethi ◽  
Heini V. Johannesen ◽  
Thorbjørn J. Morsing ◽  
Stergios Piligkos ◽  
Høgni Weihe
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Network Structure ◽  
Title Compound ◽  
Rotation Axis ◽  
Three Dimensional ◽  
Rotation Axes ◽  
Dimensional Network ◽  
Nitrate Anions

The title compound, [Co2(L)2]3+·3NO3−[whereL= CH3C(CH2NHCH2CH2OH1/2)3], has been synthesized from the ligand 1,1,1-tris(2-hydroxyethylaminomethyl)ethane. The cobalt(III) dimer has an interesting and uncommon O—H...O hydrogen-bonding motif with the three bridging hydroxy H atoms each being equally disordered over two positions. In the dimeric trication, the octahedrally coordinated CoIIIatoms and the capping C atoms lie on a threefold rotation axis. The N atoms of two crystallographically independent nitrate anions also lie on threefold rotation axes. N—H...O hydrogen bonding between the complex cations and nitrate anions leads to the formation of a three-dimensional network structure. The compound is a racemic conglomerate of crystals containing either D or L molecules. The crystal used for this study is a D crystal.

scholarly journals Crystal structure and hydrogen bonding in the water-stabilized proton-transfer salt brucinium 4-aminophenylarsonate tetrahydrate

2016 ◽  
Vol 72 (5) ◽  
pp. 751-755 ◽  
Author(s):  
Graham Smith ◽  
Urs D. Wermuth
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonding ◽  
Hydrogen Bonds ◽  
Proton Transfer ◽  
Network Structure ◽  
Three Dimensional ◽  
Water Molecules ◽  
Arsanilic Acid ◽  
Dimensional Network

In the structure of the brucinium salt of 4-aminophenylarsonic acid (p-arsanilic acid), systematically 2,3-dimethoxy-10-oxostrychnidinium 4-aminophenylarsonate tetrahydrate, (C23H27N2O4)[As(C6H7N)O2(OH)]·4H2O, the brucinium cations form the characteristic undulating and overlapping head-to-tail layered brucine substructures packed along [010]. The arsanilate anions and the water molecules of solvation are accommodated between the layers and are linked to them through a primary cation N—H...O(anion) hydrogen bond, as well as through water O—H...O hydrogen bonds to brucinium and arsanilate ions as well as bridging water O-atom acceptors, giving an overall three-dimensional network structure.

scholarly journals Crystal structure ofN-(1-allyl-3-chloro-4-ethoxy-1H-indazol-5-yl)-4-methoxybenzenesulfonamide

2014 ◽  
Vol 70 (9) ◽  
pp. o1029-o1030
Author(s):  
Hakima Chicha ◽  
El Mostapha Rakib ◽  
Latifa Bouissane ◽  
Mohamed Saadi ◽  
Lahcen El Ammari
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Title Compound ◽  
Three Dimensional ◽  
Ring System ◽  
Torsion Angles ◽  
Compound C ◽  
Dimensional Network

In the title compound, C19H20ClN3O4S, the benzene ring is inclined to the indazole ring system (r.m.s. deviation = 0.014 Å) by 65.07 (8)°. The allyl and ethoxy groups are almost normal to the indazole ring, as indicated by the respective torsion angles [N—N—C—C = 111.6 (2) and C—C—O—C = −88.1 (2)°]. In the crystal, molecules are connected by N—H...N hydrogen bonds, forming helical chains propagating along [010]. The chains are linked by C—H...O hydrogen bonds, forming a three-dimensional network.

scholarly journals Crystal structure of 4-{[(1H-1,2,4-triazol-1-yl)methyl]sulfanyl}phenol

2014 ◽  
Vol 70 (10) ◽  
pp. o1106-o1106
Author(s):  
Yong-Le Zhang ◽  
Chuang Zhang ◽  
Wei Guo ◽  
Jing Wang
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Title Compound ◽  
Three Dimensional ◽  
Triazole Ring ◽  
Hydrogen Bond Interactions ◽  
Compound C ◽  
Dimensional Network

In the title compound, C9H9N3OS, the plane of the benzene ring forms a dihedral angle of 33.40 (5)° with that of the triazole group. In the crystal, molecules are linked by O—H...N hydrogen bonds involving the phenol –OH group and one of the unsubstituted N atoms of the triazole ring, resulting in chains along [010]. These chains are further extended into a layer parallel to (001) by weak C—H...N hydrogen-bond interactions. Aromatic π–π stacking [centroid–centroid separation = 3.556 (1) Å] between the triazole rings links the layers into a three-dimensional network.

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