scholarly journals 4-Thiocarbamoylpyridin-1-ium iodide

2014 ◽  
Vol 70 (3) ◽  
pp. o340-o341 ◽  
Author(s):  
Ibukun O. Shotonwa ◽  
René T. Boeré
Keyword(s):  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Three Dimensional ◽  
The Other ◽  
Asymmetric Unit ◽  
Thioamide Group ◽  
Dimensional Network ◽  
Pyridinium Ring

The title salt, C6H7N2S+·I−, crystallizes with two independent cations and two anions in the asymmetric unit. In one of the cations, the dihedral angle between the pyridinium ring and the thioamide group is 28.9 (2)°; in the other it is 33.5 (2)°. In the crystal, N—H...S and C—H...S hydrogen bonds link the independent cations into pairs. These pairs form a three-dimensional network through additional N—H...I and C—H...I hydrogen bonds to the anions.

scholarly journals 1-(6-Fluoro-1,3-benzothiazol-2-yl)-2-(1-phenylethylidene)hydrazine

2012 ◽  
Vol 68 (8) ◽  
pp. o2438-o2439 ◽  
Author(s):  
Hoong-Kun Fun ◽  
Ching Kheng Quah ◽  
D. Munirajasekhar ◽  
M. Himaja ◽  
B. K. Sarojini
Keyword(s):  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Phenyl Ring ◽  
Three Dimensional ◽  
Ring System ◽  
The Other ◽  
Asymmetric Unit ◽  
Compound C ◽  
Dimensional Network ◽  
Independent Molecules

The asymmetric unit of the title compound, C15H12FN3S, consists of two independent molecules with comparable geometries. In one molecule, the 1,3-benzothiazole ring system (r.m.s. deviation = 0.011 Å) forms a dihedral angle of 19.86 (6)° with the phenyl ring. The corresponding r.m.s. deviation and dihedral angle for the other molecule are 0.014 Å and 22.32 (6)°, respectively. In the crystal, molecules are linkedviaN—H...N, C—H...F and C—H...N hydrogen bonds into a three-dimensional network. The crystal studied was a non-merohedral twin with a refined BASF value of 0.301 (2).

scholarly journals 4-(1H-Pyrazol-3-yl)pyridine–terephthalic acid–water (2/1/2)

2012 ◽  
Vol 68 (6) ◽  
pp. o1942-o1942
Author(s):  
Zheng-De Tan ◽  
Feng-Jiao Tan ◽  
Bo Tan ◽  
Cheng-Ming Zhang
Keyword(s):  
Hydrogen Bonds ◽  
Water Molecule ◽  
Dihedral Angle ◽  
Title Compound ◽  
Terephthalic Acid ◽  
Three Dimensional ◽  
The Other ◽  
Acid Water ◽  
Asymmetric Unit ◽  
Dimensional Network

In the title compound, 2C8H7N3·C8H6O4·2H2O, the pyridine and pyrazole rings are approximately coplanar, the dihedral angle between them being 4.69 (9)°. The asymmetric unit consists of half of the terephthalic acid (an inversion centre generates the other half of the molecule), one 4-(1H-pyrazol-3-yl)pyridine (4pp) molecule and one water molecule. In the crystal, two 4pp and one terephthalic acid molecules form a linear three-molecule unit as a result of O—H...N hydrogen bonds. These units are further assembled into a three-dimensional network by two types of hydrogen bonds, viz. O—H...O and N—H...O.

scholarly journals 3-Methyl-1-benzofuran-2-carbohydrazide

2012 ◽  
Vol 68 (4) ◽  
pp. o1255-o1256 ◽  
Author(s):  
Hatem A. Abdel-Aziz ◽  
Hazem A. Ghabbour ◽  
Suchada Chantrapromma ◽  
Hoong-Kun Fun
Keyword(s):  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Three Dimensional ◽  
Ring System ◽  
The Other ◽  
Dihedral Angles ◽  
Asymmetric Unit ◽  
Benzofuran Derivative ◽  
Dimensional Network ◽  
Independent Molecules

In the asymmetric unit of the title benzofuran derivative, C10H10N2O2, there are three crystallograpically independent molecules, which are slightly twisted; the dihedral angle between the benzofuran ring system and the plane of the carbohydrazide unit is 8.64 (11)° in one molecule, whereas the dihedral angles are 9.58 (11) and 6.89 (10)° in the other two molecules. In the crystal, the three independent molecules are linked to each other through N—H...N hydrogen bonds, forming a trimer. The trimers are further linked by weak N—H...O and C—H...O hydrogen bonds into a three-dimensional network. π–π interactions with centroid–centroid distances in the range 3.4928 (11)–3.8561 (10) Å are also observed.

scholarly journals N-(1-Allyl-1H-indazol-5-yl)-4-methylbenzenesulfonamide

2013 ◽  
Vol 69 (12) ◽  
pp. o1847-o1847
Author(s):  
Hakima Chicha ◽  
El Mostapha Rakib ◽  
Hafid Abderrafia ◽  
Mohamed Saadi ◽  
Lahcen El Ammari
Keyword(s):  
Dihedral Angle ◽  
Three Dimensional ◽  
Ring System ◽  
Membered Ring ◽  
The Other ◽  
Dihedral Angles ◽  
Asymmetric Unit ◽  
Compound C ◽  
Dimensional Network ◽  
Independent Molecules

The asymmetric unit of the title compound, C17H17N3O2S, contains two independent molecules linked by an N—H...O hydrogen bond. The molecules show different conformations. In the first molecule, the fused five- and six-membered ring system is almost perpendicular to the plane through the atoms forming the allyl group, as indicated by the dihedral angle of 85.1 (4)°. The dihedral angle with the methylbenzenesulfonamide group is 78.8 (1)°. On the other hand, in the second molecule, the dihedral angles between the indazole plane and the allyl and methylbenzenesulfonamide groups are 80.3 (3) and 41.5 (1)°, respectively. In the crystal, molecules are further linked by N—H...N and C—H...O hydrogen bonds, forming a three-dimensional network.

scholarly journals Crystal structure of 1,4-bis(3-ammoniopropyl)piperazine-1,4-diium bis[dichromate(VI)]

2016 ◽  
Vol 72 (5) ◽  
pp. 616-619
Author(s):  
S. Vetrivel ◽  
E. Vinoth ◽  
R. U. Mullai ◽  
R. Aruljothi ◽  
M. NizamMohideen
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Network Structure ◽  
Three Dimensional ◽  
Chair Conformation ◽  
The Other ◽  
Inversion Symmetry ◽  
Asymmetric Unit ◽  
Piperazine Ring ◽  
Dimensional Network

The asymmetric unit of the organic–inorganic title salt, (C10H28N4)[Cr2O7]2, comprises one half of an 1,4-bis(3-ammoniopropyl)piperazinediium cation (the other half being generated by the application of inversion symmetry) and a dichromate anion. The piperazine ring of the cation adopts a chair conformation, and the two CrO4tetrahedra of the anion are in an almost eclipsed conformation. In the crystal, the cations and anions form a layered arrangement parallel to (001). N—H...O hydrogen bonds between the cations and anions and additional C—H...O interactions lead to the formation of a three-dimensional network structure.

scholarly journals Bis[hexaamminecobalt(III)] pentachloride nitrate

2012 ◽  
Vol 68 (6) ◽  
pp. i45-i46
Author(s):  
Qihui Wu ◽  
Chunyu Du ◽  
Yang Lv ◽  
Guoliang Chen ◽  
Qinhe Pan
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Three Dimensional ◽  
The Other ◽  
Mirror Plane ◽  
Inversion Center ◽  
Asymmetric Unit ◽  
Hydrothermal Conditions ◽  
Nitrate N ◽  
Dimensional Network

The title compound, [Co(NH3)6]2Cl5(NO3), was obtained under hydrothermal conditions. The asymmetric unit contains three Co3+ ions, one lying on an inversion center and the other two located at 2/m positions. All Co3+ ions are six-coordinated by NH3 molecules, forming [Co(NH3)6]3+ octahedra, with Co—N distances in the range 1.945 (4)–1.967 (3) Å. The nitrate N atom and one of the O atoms lie at a mirror plane. Among the Cl− anions, one lies in a general position, one on a twofold axis and two on a mirror plane. N—H...O and N—H...Cl hydrogen bonds link the cations and anions into a three-dimensional network.

scholarly journals Crystal structure of poly[diaqua(μ2-benzene-1,4-dicarboxylato-κ2O1:O4)(μ2-benzene-1,4-dicarboxylato-κ4O1,O1′:O4,O4′)bis(μ2-3,3′,5,5′-tetramethyl-4,4′-bipyrazole-κ2N:N′)dinickel(II)]

2015 ◽  
Vol 71 (6) ◽  
pp. m127-m128
Author(s):  
Chao Wu ◽  
Peng Cao
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Water Molecule ◽  
Crystal Packing ◽  
Three Dimensional ◽  
The Other ◽  
Water Molecules ◽  
Inversion Symmetry ◽  
Asymmetric Unit ◽  
Dimensional Network

The asymmetric unit of the polymeric title compound, [Ni(C8H4O4)(C10H14N4)(H2O)]n, contains one Ni2+cation, one coordinating water molecule, one 3,3′,5,5′-tetramethyl-4,4′-bipyrazole ligand and half each of two benzene-1,4-dicarboxylate anions, the other halves being generated by inversion symmetry. The Ni2+cation exhibits an octahedral N2O4coordination sphere defined by the O atoms of the water molecule and two different anions and the N atoms of two symmetry-relatedN-heterocycles. TheN-heterocycles and both anions bridge adjacent Ni2+cations into a three-dimensional network structure, with one of the anions in a bis-bidentate and the other in a bis-monodentate bridging mode. N—H...O and O—H...O hydrogen bonds between the N-heterocycles and water molecules as donor groups and the carboxylate O atoms as acceptor groups consolidate the crystal packing.

scholarly journals S,S-Diphenyl-S-pyrrolidinoiminosulfonium perchlorate

IUCrData ◽  
2017 ◽  
Vol 2 (9) ◽  
Author(s):  
Md. Chanmiya Sheikh ◽  
Toshiaki Yoshimura ◽  
Eiichi Takata ◽  
Takayoshi Fujii ◽  
Ryuta Miyatake
Keyword(s):  
Hydrogen Bonds ◽  
Three Dimensional ◽  
The Other ◽  
Dihedral Angles ◽  
Asymmetric Unit ◽  
Tetrahedral Geometry ◽  
Bond Lengths ◽  
Distorted Tetrahedral Geometry ◽  
Dimensional Network ◽  
Phenyl Rings

The asymmetric unit of the title salt, C16H19N2S+·ClO4−, consists of two crystallographically independent cations and anions. In the salt, protonation occurs at the nitrile N atom attached to the S atom of the corresponding λ6-sulfanenitrile. The structures of the two independent cations are almost the same and the configuration around the S atom is a slightly distorted tetrahedral geometry, with two S—N bonds and two S—C bonds. The S—N(pyrrolidine) and S=N bond lengths are 1.6216 (18) and 1.503 (2) Å, respectively, for one cation, and 1.6236 (19) and 1.502 (2) Å, respectively, for the other. The dihedral angles between the two phenyl rings in the cations are 76.61 (9) and 76.42 (9)°. There are N—H...O hydrogen bonds, which link the cation and the anion. The cation–anion pairs are further linked by C—H...O and C—H...N hydrogen bonds, forming a three-dimensional network.

scholarly journals 1-[(3-Benzyloxy-2-nitrophenoxy)methyl]benzene

2012 ◽  
Vol 68 (8) ◽  
pp. o2317-o2318
Author(s):  
Hoong-Kun Fun ◽  
Suhana Arshad ◽  
S. R. Ubaradka ◽  
Prakash Shetty ◽  
Arun M. Isloor
Keyword(s):  
Hydrogen Bonds ◽  
Three Dimensional ◽  
The Other ◽  
Dihedral Angles ◽  
Asymmetric Unit ◽  
Compound C ◽  
Dimensional Network ◽  
Benzene Rings ◽  
Independent Molecules ◽  
Methyl Benzene

The asymmetric unit of the title compound, C20H17NO4, consists of two crystallographically independent molecules. In one of the molecules, the central benzene ring forms dihedral angles of 2.26 (6) and 58.68 (6)° with the terminal benzene rings and the dihedral angle between the terminal benzene rings is 56.45 (6)°. The corresponding values for the other molecule are 35.17 (6), 70.97 (6) and 69.62 (6)°, respectively. In the crystal, an inversion dimer linked by a pair of C—H...O hydrogen bonds occurs for one of the unique molecules. C—H...π and π–π [centroid–centroid distances = 3.7113 (8) and 3.7216 (7) Å] interactions link the components into a three-dimensional network.

The first-row transition-metal series of tris(ethylenediamine) diacetate complexes [M(en)3](OAc)2 (M is Mn, Fe, Co, Ni, Cu, and Zn)

2017 ◽  
Vol 73 (6) ◽  
pp. 442-446 ◽  
Author(s):  
Duyen N. K. Pham ◽  
Mrittika Roy ◽  
James A. Golen ◽  
David R. Manke
Keyword(s):  
Transition Metal ◽  
Hydrogen Bonds ◽  
Three Dimensional ◽  
The Other ◽  
Asymmetric Unit ◽  
Teller Distortion ◽  
Dimensional Network ◽  
Jahn Teller ◽  
Jahn Teller Distortion ◽  
Cu And Zn

The crystal structures of the first-row transition-metal series of tris(ethylenediamine-κ2 N,N′)metal(II) diacetate, [M(C2H8N2)3](CH3CO2)2, with M = Mn, Fe, Co, Ni, Cu, and Zn, are reported. The complexes are all isostructural, crystallizing in a centrosymmetric triclinic cell and possessing an asymmetric unit composed of one [M(en)3]2+ cation and two symmetrically independent acetate anions. In the unit cell, the two complex cations are inversion-generated enantiomers, possessing the energetically favoured Δ(λλλ) and Λ(δδδ) configurations. The complex cations and acetate anions combine through a series of N—H...O hydrogen bonds to generate a three-dimensional network in the crystals. The other notable feature of the series is a significant Jahn–Teller distortion for the d 9 Cu2+ complex.

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