scholarly journals Piperazine-1,4-diium bis(4-nitrobenzoate) dihydrate

IUCrData ◽  
2017 ◽  
Vol 2 (9) ◽  
Author(s):  
R. Rajkumar ◽  
P. Praveen Kumar ◽  
B. Gunasekaran
Keyword(s):  
Hydrogen Bonds ◽  
Water Molecule ◽  
Three Dimensional ◽  
Inversion Center ◽  
Asymmetric Unit ◽  
Benzoate Anion ◽  
Molecular Salt

The asymmetric unit of the title molecular salt, C4H12N22+·2C7H4NO4−·2H2O, is composed of half a protonated piperazine dication, located about an inversion center, a benzoate anion and a water molecule of crystallization. In the crystal, the various units are linked by N—H...O, O—H...O and C—H...O hydrogen bonds, forming a supramolecular three-dimensional framework.

scholarly journals 1-(4-Hydroxyphenyl)piperazine-1,4-diium tetrachloridocobalt(II) monohydrate

2014 ◽  
Vol 70 (2) ◽  
pp. m75-m75 ◽  
Author(s):  
Marwa Mghandef ◽  
Habib Boughzala
Keyword(s):  
Hydrogen Bonds ◽  
Water Molecule ◽  
Three Dimensional ◽  
Organic Cations ◽  
Water Molecules ◽  
Asymmetric Unit ◽  
Hybrid Compound ◽  
Organic Hybrid ◽  
Compound C ◽  
Dimensional Network

The asymmetric unit of the title inorganic–organic hybrid compound, (C10H16N2O)[CoCl4]·H2O, consists of a tetrahedral [CoCl4]2−anion, together with a [C10H18N2O]2+cation and a water molecule. Crystal cohesion is achieved through N—H...Cl, O—H...Cl and N—H...O hydrogen bonds between organic cations, inorganic anions and the water molecules, building up a three-dimensional network.

scholarly journals Crystal structure of creatininium 5-(2,4-dinitrophenyl)-1,3-dimethylbarbiturate monohydrate: a potential anticonvulsant agent

2016 ◽  
Vol 72 (5) ◽  
pp. 620-623
Author(s):  
Ponnusamy Poornima Devi ◽  
Doraisamyraja Kalaivani
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Water Molecule ◽  
Three Dimensional ◽  
Pyrimidine Ring ◽  
Membered Ring ◽  
Anticonvulsant Agent ◽  
The Mean ◽  
Anions And Cations ◽  
Molecular Salt

In the anion of the title hydrated molecular salt, C4H8N3O+·C12H9N4O7−·H2O [systematic name: 2-amino-1-methyl-4-oxo-4,5-dihydro-1H-imidazol-3-ium 5-(2,4-dinitrophenyl)-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-olate monohydrate], the 2,4-dinitrophenyl ring is inclined to the mean plane of the pyrimidine ring [r.m.s. deviation = 0.37 Å] by 43.24 (8)°. The five-membered ring of the creatininium cation (2-amino-1-methyl-4-oxo-4,5-dihydro-1H-imidazol-3-ium) is essentially planar with an r.m.s. deviation of 0.015 Å. In the crystal, the anions and cations are linkedviaN—H...O hydrogen bonds, forming sheets parallel to theabplane. The sheets are linkedviaO—H...O hydrogen bonds involving the water molecule, forming a three-dimensional framework. Within the framework, there are C—H...O hydrogen bonds present. The title molecular salt displays anticonvulsant and hypnotic activities.

scholarly journals Diaquabis[2,6-bis(4H-1,2,4-triazol-4-yl)pyridine-κN2]bis(selenocyanato-κN)cobalt(II)

2012 ◽  
Vol 68 (8) ◽  
pp. m1097-m1098
Author(s):  
Yuan-Yuan Liu ◽  
Pan Yang
Keyword(s):  
Hydrogen Bonds ◽  
Water Molecule ◽  
Title Compound ◽  
Three Dimensional ◽  
Water Molecules ◽  
Supramolecular Architecture ◽  
Asymmetric Unit ◽  
Pyridine Ligand ◽  
Complex Molecules ◽  
Pyridine Ligands

In the title compound, [Co(NCSe)2(C9H7N7)2(H2O)2], the Co2+cation is coordinated by two selenocyanate anions, two 2,6-bis(4H-1,2,4-triazol-4-yl)pyridine ligands and two water molecules within a slightly distorted N4O2octahedron. The asymmetric unit consists of one Co2+cation, which is located on a center of inversion, as well as one selenocyanate anion, one 2,6-bis(4H-1,2,4-triazol-4-yl)pyridine ligand and one water molecule in general positions. Intermolecular O—H...N hydrogen bonds join the complex molecules into layers parallel to thebcplane. The layers are linked by C—H...N and C—H...Se hydrogen bonds into a three-dimensional supramolecular architecture.

scholarly journals Bis(1,3-thiazol-2-aminium) hexachloridostannate(IV)

2014 ◽  
Vol 70 (7) ◽  
pp. m269-m269 ◽  
Author(s):  
Ruiting Xue ◽  
Lingmin Kong
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
General Position ◽  
Three Dimensional ◽  
Inversion Center ◽  
Asymmetric Unit ◽  
Electrostatic Forces ◽  
Compound C

The asymmetric unit of the title compound, (C3H5N2S)2[SnCl6], contains one cation in a general position and one-half of the dianion situated on an inversion center. The geometry of the [SnCl6]2−dianion is almost regular octahedral. In the crystal, weak N—H...Cl and N—H...S hydrogen bonds and electrostatic forces link cations and anions into a three-dimensional framework.

scholarly journals Benzene-1,2-diaminium bis(hydrogen phosphonate)

IUCrData ◽  
2016 ◽  
Vol 1 (10) ◽  
Author(s):  
Md. Zahid ◽  
R. Akilan ◽  
T. Ganesh ◽  
R. Mohan Kumar ◽  
G. Chakkaravarthi
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Three Dimensional ◽  
Mirror Plane ◽  
Asymmetric Unit ◽  
Π Interactions ◽  
Centroid Distance ◽  
Molecular Salt ◽  
Ring Motif

The asymmetric unit of the title molecular salt, C6H10N2 2+·2H2PO3 −, contains half of a benzene-1,2-diaminium cation and a phosphite anion, the complete cation being generated by a crystallographic mirror plane. In the crystal, N—H...O hydrogen bonds generate R 2 2(9) and R 2 2(8) ring motifs and O—H...O hydrogen bonds generate an R 2 2(8) ring motif. Overall, these generate a three-dimensional framework. The crystal structure also features π–π interactions [centroid-to-centroid distance = 3.8642 (7) Å].

scholarly journals Crystal structure of ammonium 3′-azido-3′-deoxythymidine-5′-aminocarbonylphosphonate hemihydrate: an anti-HIV agent

2014 ◽  
Vol 70 (11) ◽  
pp. 396-399
Author(s):  
Maxim V. Jasko ◽  
Galina V. Gurskaya ◽  
Marina K. Kukhanova ◽  
Ivan S. Bushmarinov
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Water Molecule ◽  
Rotation Axis ◽  
Three Dimensional ◽  
Amide Group ◽  
The Other ◽  
Asymmetric Unit ◽  
Anti Hiv

The asymmetric unit of the title compound, NH4+·C11H14N6O7P−·0.5H2O, contains one 3′-azido-3′-deoxythymidine-5′aminocarbonylphosphonate (ACP–AZT) anion, half of an NH4+cation lying on a twofold rotation axis and in another position, occupied with equal probabilities of 0.5, an NH4+cation and a water molecule. The amide group of the ACP–AZT anion is disordered (occupancy ratio 0.5:0.5), with one part forming an N—H...O (involving C=O...H4N+) hydrogen bond and the other an O—H...N (involving C—NH2...OH2) hydrogen bond with the components of the split NH4+/H2O position. The pseudorotation parameters of ACP–AZT set it apart from previously studied AZT and thymidine. In the crystal, the various components are linked by N—H...O, O—H...O, N—H...N, C—H...O and C—H...N hydrogen bonds, forming a three-dimensional framework.

scholarly journals Crystal structure of melaminium cyanoacetate monohydrate

2020 ◽  
Vol 76 (10) ◽  
pp. 1645-1648
Author(s):  
Bhawani Sigdel Regmi ◽  
Allen Apblett ◽  
Douglas Powell
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Water Molecule ◽  
Title Compound ◽  
Three Dimensional ◽  
Membered Ring ◽  
Water Molecules ◽  
Asymmetric Unit ◽  
Dimensional Network

The asymmetric unit of the title compound, 2,4,6-triamino-1,3,5-triazin-1-ium cyanoacetate monohydrate, C3H7N6 +·NCCH2COO−·H2O, consists of a melaminium cation, a cyanoacetate anion and a water molecule, which are connected to each other via N—H...O and O—H...O hydrogen bonds, generating an eight-membered ring. In the crystal, the melaminium cations are connected by two pairs of N—H...N hydrogen bonds, forming tapes along [110]. These tapes develop a three-dimensional network through N—H...O, O—H...O, N—H...N and C—H...O hydrogen bonds between the cations, anions and water molecules.

scholarly journals Crystal structure of zwitterionic 4-(ammoniomethyl)benzoate: a simple molecule giving rise to a complex supramolecular structure

2014 ◽  
Vol 70 (11) ◽  
pp. 385-388 ◽  
Author(s):  
Ana María Atria ◽  
Maria Teresa Garland ◽  
Ricardo Baggio
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Water Molecule ◽  
Three Dimensional ◽  
Dimensional Structure ◽  
Asymmetric Unit ◽  
Compound C ◽  
Acidic Proton ◽  
Centroid Distance ◽  
Benzene Rings

The asymmetric unit of the title compound, C8H9NO2·H2O consists of an isolated 4-(ammoniomethyl)benzoate zwitterion derived from 4-aminomethylbenzoic acid through the migration of the acidic proton, together with a water molecule of crystallization that is disordered over three sites with occupancy ratios (0.50:0.35:0.15). In the crystal structure, N—H...O hydrogen bonds together with π–π stacking of the benzene rings [centroid–centroid distance = 3.8602 (18) Å] result in a strongly linked, compact three-dimensional structure.

scholarly journals catena-Poly[[[aquamanganese(III)]-μ-(E)-5-bromo-N-[2-(5-bromo-2-oxidobenzylideneamino)-4-nitrophenyl]-2-oxidobenzamidato]N,N-dimethylfomamide monosolvate]

2012 ◽  
Vol 68 (4) ◽  
pp. m365-m366
Author(s):  
Abeer Mohamed Farag ◽  
Teoh Siang Guan ◽  
Hasnah Osman ◽  
Madhukar Hemamalini ◽  
Hoong-Kun Fun
Keyword(s):  
Schiff Base ◽  
Hydrogen Bonds ◽  
Water Molecule ◽  
Equatorial Plane ◽  
Three Dimensional ◽  
Title Complex ◽  
Polymeric Chain ◽  
Coordination Geometry ◽  
Asymmetric Unit ◽  
Dimensional Network

The asymmetric unit of the title complex, {[Mn(C20H10Br2N3O5)(H2O)]·(CH3)2NCHO}n, consists of one MnIIIion, one (E)-5-bromo-N-[2-(5-bromo-2-oxidobenzylideneamino)-4-nitrophenyl]-2-oxidobenzamidate ligand (Schiff base), one water molecule and anN,N-dimethylformamide molecule. The coordination geometry around the MnIIIion is a distorted octahedron, being surrounded by two O and two N atoms from the Schiff base, which are positioned in the equatorial plane. The water molecule and the O atom of the carbonyl group from the adjacent MnIIIcomplex are situated at the axial positions, leading to a polymeric chain along thecaxis. In the crystal, the complex andN,N-dimethylformamide molecules are connectedviaO—H...O, C—H...O and C—H...Br hydrogen bonds, forming a three-dimensional network.

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.

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