scholarly journals Propane-1,3-diammonium molybdate

IUCrData ◽  
2019 ◽  
Vol 4 (4) ◽  
Author(s):  
Alioune Wane ◽  
Antoine Blaise Kama ◽  
Mouhamadou Birame Diop ◽  
Libasse Diop ◽  
Laurent Plasseraud ◽  
...  
Keyword(s):  
Hydrogen Bonds ◽  
Single Crystals ◽  
Molybdenum Trioxide ◽  
Three Dimensional ◽  
Asymmetric Unit ◽  
Tetrahedral Configuration ◽  
Anions And Cations ◽  
Molybdate Anion

The reaction between equimolar amounts of propane-1,3-diamine and molybdenum trioxide in water led to the formation of single crystals of the title salt, (C3H12N2)[MoO4]. The asymmetric unit is comprised of one propane-1,3-diammonium cation and one molybdate anion. The latter is isolated in the structure and has a slightly distorted tetrahedral configuration. An extensive network of N—H...O hydrogen bonds connects anions and cations, giving rise to a compact three-dimensional packing.

scholarly journals Hydrogen bonds and van der Waals forces as tools for the construction of a herringbone pattern in the crystal structure of hexane-1,6-diaminium hexane-1,6-diyl bis(hydrogen phosphonate)

2017 ◽  
Vol 73 (1) ◽  
pp. 76-80
Author(s):  
Guido J. Reiss ◽  
Martin van Megen ◽  
Walter Frank
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Three Dimensional ◽  
Membered Ring ◽  
Two Dimensional ◽  
Asymmetric Unit ◽  
Diphosphonic Acid ◽  
Dimensional Network ◽  
Anions And Cations ◽  
Graph Set

The asymmetric unit of the title salt, [H3N(CH2)6NH3][(HO)O2P(CH2)6PO2(OH)], consists of one half of a hexane-1,6-diaminium dication and one half of a hexane-1,6-diyl bis(hydrogen phosphonate) dianion. Both are located around different centres of inversion (Wyckoff sites: 2aand 2d) of the space groupP21/c. The shape of the hexane-1,6-diaminium cation is best described as a double hook. Both aminium groups as well as the two attached CH2groups are turned out from the plane of the central four C atoms. In contrast, all six C atoms of the dianion are almost in a plane. The hydrogen phosphonate (–PO3H) groups of the anions and the aminium groups of the cations form two-dimensional O—H... and O—H...N hydrogen-bonded networks parallel to theacplane, built up from ten-membered and twelve-membered ring motifs with graph-set descriptorsR33(10) andR54(12), respectively. These networks are linked by the alkylene chains of the anions and cations. The resulting three-dimensional network shows a herringbone pattern, which resembles the parent structures 1,6-diaminohexane and hexane-1,6-diphosphonic acid.

scholarly journals 2-Aminopyridinium 2,4-dinitrophenolate

IUCrData ◽  
2016 ◽  
Vol 1 (9) ◽  
Author(s):  
S. Reena Devi ◽  
R. Akilan ◽  
R. Mohan Kumar ◽  
T. Ganesh ◽  
G. Chakkaravarthi
Keyword(s):  
Hydrogen Bonds ◽  
Three Dimensional ◽  
Organic Salt ◽  
Supramolecular Network ◽  
Asymmetric Unit ◽  
Π Interactions ◽  
Anions And Cations

The asymmetric unit of the title organic salt, C5H7N2+·C6H3N2O5−, comprises two 2-aminopyridinium cations and two 2,4-dinitrophenolate anions. The cations are protonated at the pyridine N atoms, while the anions are deprotonated at hydroxyl O atoms. In the crystal, bifurcated N—H...O hydrogen bonds generate twoR12(6), twoR21(6), and oneR21(4) ring motifs. Adjacent anions and cations are linked by N—H...O hydrogen bonds into infinite chains along [110]. Weak C—H...O contacts and π–π interactions further link the components, forming a complex three-dimensional supramolecular network.

scholarly journals Crystal structures of three carbazole derivatives: 12-ethyl-7-phenylsulfonyl-7H-benzofuro[2,3-b]carbazole, (1), 2-(4,5-dimethoxy-2-nitrophenyl)-4-hydroxy-9-phenylsulfonyl-9H-carbazole-3-carbaldehyde, (2), and 12-phenyl-7-phenylsulfonyl-7H-benzofuro[2,3-b]carbazole, (3)

2016 ◽  
Vol 72 (12) ◽  
pp. 1744-1750
Author(s):  
Rajeswari Gangadharan ◽  
P. Narayanan ◽  
K. Sethusankar ◽  
Velu Saravanan ◽  
Arasambattu K. Mohanakrishnan
Keyword(s):  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Crystal Packing ◽  
Three Dimensional ◽  
Dihedral Angles ◽  
Asymmetric Unit ◽  
Tetrahedral Configuration ◽  
Π Interactions ◽  
Carbazole Derivatives ◽  
Dimensional Network

The three title compounds, C26H19NO3S, (1), C27H20N2O8S, (2), and C30H19NO3S, (3), are carbazole derivatives, where (1) and (3) are heterocycle-containing carbazoles with a benzofuran moiety fused to a carbazole unit. In (2), a dimethoxynitrophenyl ring is attached to the carbazole moiety. In the three derivatives, a phenylsulfonyl group is attached to the N atom of the carbazole unit. Compound (1) crystallizes with two independent molecules in the asymmetric unit (AandB). The carbazole skeleton in the three compounds is essentially planar. In compound (1), the benzene ring of the phenylsulfonyl moiety is almost orthogonal to the carbazole moiety, with dihedral angles of 85.42 (9) and 84.52 (9)° in moleculesAandB, respectively. The benzene ring of the phenylsulfonyl group in compounds (2) and (3) are inclined to the carbazole moiety, making dihedral angles of 70.73 (13) and 81.73 (12)°, respectively. The S atom has a distorted tetrahedral configuration in all three compounds. In the crystals, C—H...O hydrogen bonds give rise toR22(12) inversion dimers for compound (1), and toR22(24) inversion dimers andR44(40) ring motifs for compound (2). The crystal packing in (1) also features C—H...π and π–π interactions [shortest intercentroid distance = 3.684 (1) Å], leading to supramolecular three-dimensional aggregation. In the crystal of compound (2), the combination of the various C—H...O hydrogen bonds leads to the formation of a three-dimensional network. In the crystal of compound (3), molecules are linked by C—H...O hydrogen bonds, forming chains running parallel to theaaxis, and the chains are linked by C—H...π interactions, forming corrugated sheets parallel to theabplane.

scholarly journals Crystal structure of 4,4′-bipyridine-1,1'-diium naphthalene-2,6-disulfonate dihydrate

2014 ◽  
Vol 70 (9) ◽  
pp. o989-o990
Author(s):  
Sabri Çevik ◽  
Musa Sarı ◽  
Murat Sarı ◽  
Tuncay Tunç
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Three Dimensional ◽  
Organic Salt ◽  
Water Molecules ◽  
Inversion Symmetry ◽  
Asymmetric Unit ◽  
Framework Structure ◽  
Centroid Distance ◽  
Anions And Cations

The title hydrated molecular organic salt, C10H10N22+·C10H6O6S22−·2H2O, crystallized with half a bipyridinium cation, half a naphthalene-2,6-disulfonate anion and a water molecule in the asymmetric unit. The whole cation and anion are generated by inversion symmetry, the inversion centers being at the center of the bridging C—C bond of the cation, and at the center of the fused C—C bond of the naphthalene group of the anion. In the crystal, the anions and cations stack alternately along theaaxis with π–π interactions [inter-centroid distance = 3.491 (1) Å]. The anions are linkedviaO—H...O(sulfonate) hydrogen bonds involving two inversion-related water molecules, forming chains along [10-1]. These chains are bridged by bifurcated N—H...(O,O) hydrogen bonds, forming a three-dimensional framework structure. There are also C—H...O hydrogen bonds present, reinforcing the framework structure.

scholarly journals Crystal structure of bis(diisopropylammonium) molybdate

2018 ◽  
Vol 74 (11) ◽  
pp. 1682-1685 ◽  
Author(s):  
Bougar Sarr ◽  
Abdou Mbaye ◽  
Cheikh Abdoul Khadir Diop ◽  
Frederic Melin ◽  
Petra Hellwig ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Rotation Axis ◽  
Three Dimensional ◽  
Molar Ratio ◽  
Tetrahedral Configuration ◽  
Dimensional Network ◽  
Molybdate Anion

The organic–inorganic title salt, (C6H16N)2[MoO4] or ( i Pr2NH2)2[MoO4], was obtained by reacting MoO3 with diisopropylamine in a 1:2 molar ratio in water. The molybdate anion is located on a twofold rotation axis and exhibits a slightly distorted tetrahedral configuration. In the crystal structure, the diisopropylammmonium ( i Pr2NH2)+ cations and [MoO4]2− anions are linked to each other through N—H...O hydrogen bonds, generating rings with R 12 12(36) motifs that give rise to the formation of a three-dimensional network. The structure was refined taking into account inversion twinning (ratio of ca 4:1 between the two domains).

scholarly journals Crystal structure of 4-amino-1-(4-methylbenzyl)pyridinium bromide

2014 ◽  
Vol 70 (12) ◽  
pp. o1293-o1294 ◽  
Author(s):  
N. Sharmila ◽  
T. V. Sundar ◽  
A. Yasodha ◽  
A. Puratchikody ◽  
B. Sridhar
Keyword(s):  
Hydrogen Bonds ◽  
Ion Pairs ◽  
Three Dimensional ◽  
Asymmetric Unit ◽  
Pyridinium Bromide ◽  
Dimensional Network ◽  
Benzene Rings ◽  
Anions And Cations ◽  
Molecular Salt ◽  
Ring Motif

The title molecular salt, C13H15N2+·Br−, crystallized with two independent ion pairs (AandB) in the asymmetric unit. In the cations, the planes of the pyridine and benzene rings are inclined to one another by 79.32 (8) and 82.30 (10)° in ion pairsAandB, respectively. In the crystal, the anions and cations are connected by N—H...Br hydrogen bonds, forming a centrosymmetric tetramer-like unit enclosing anR84(16) ring motif. These units are linkedviaC—H...Br hydrogen bonds, forming a three-dimensional network.

scholarly journals Crystal structures of {[Cu(Lpn)2][Fe(CN)5(NO)]·H2O}nand {[Cu(Lpn)2]3[Cr(CN)6]2·5H2O}n[where Lpn = (R)-propane-1,2-diamine]: two heterometallic chiral cyanide-bridged coordination polymers

2015 ◽  
Vol 71 (4) ◽  
pp. 392-397
Author(s):  
Olha Sereda ◽  
Helen Stoeckli-Evans
Keyword(s):  
Hydrogen Bonds ◽  
Coordination Polymers ◽  
Three Dimensional ◽  
Water Molecules ◽  
Two Dimensional ◽  
Asymmetric Unit ◽  
Compound I ◽  
Distorted Octahedral ◽  
Coordination Spheres ◽  
Compound Ii

The title compounds,catena-poly[[[bis[(R)-propane-1,2-diamine-κ2N,N′]copper(II)]-μ-cyanido-κ2N:C-[tris(cyanido-κC)(nitroso-κN)iron(III)]-μ-cyanido-κ2C:N] monohydrate], {[Cu(Lpn)2][Fe(CN)5(NO)]·H2O}n, (I), and poly[[hexa-μ-cyanido-κ12C:N-hexacyanido-κ6C-hexakis[(R)-propane-1,2-diamine-κ2N,N′]dichromium(III)tricopper(II)] pentahydrate], {[Cu(Lpn)2]3[Cr(CN)6]2·5H2O}n, (II) [where Lpn = (R)-propane-1,2-diamine, C3H10N2], are new chiral cyanide-bridged bimetallic coordination polymers. The asymmetric unit of compound (I) is composed of two independent cation–anion units of {[Cu(Lpn)2][Fe(CN)5)(NO)]} and two water molecules. The FeIIIatoms have distorted octahedral geometries, while the CuIIatoms can be considered to be pentacoordinate. In the crystal, however, the units align to form zigzag cyanide-bridged chains propagating along [101]. Hence, the CuIIatoms have distorted octahedral coordination spheres with extremely long semicoordination Cu—N(cyanido) bridging bonds. The chains are linked by O—H...N and N—H...N hydrogen bonds, forming two-dimensional networks parallel to (010), and the networks are linkedviaN—H...O and N—H...N hydrogen bonds, forming a three-dimensional framework. Compound (II) is a two-dimensional cyanide-bridged coordination polymer. The asymmetric unit is composed of two chiral {[Cu(Lpn)2][Cr(CN)6]}−anions bridged by a chiral [Cu(Lpn)2]2+cation and five water molecules of crystallization. Both the CrIIIatoms and the central CuIIatom have distorted octahedral geometries. The coordination spheres of the outer CuIIatoms of the asymmetric unit can be considered to be pentacoordinate. In the crystal, these units are bridged by long semicoordination Cu—N(cyanide) bridging bonds forming a two-dimensional network, hence these CuIIatoms now have distorted octahedral geometries. The networks, which lie parallel to (10-1), are linkedviaO—H...O, O—H...N, N—H...O and N—H...N hydrogen bonds involving all five non-coordinating water molecules, the cyanide N atoms and the NH2groups of the Lpn ligands, forming a three-dimensional framework.

scholarly journals 2-Amino-3-carboxypyridinium perchlorate

2012 ◽  
Vol 68 (6) ◽  
pp. o1601-o1602 ◽  
Author(s):  
Fadila Berrah ◽  
Sofiane Bouacida ◽  
Hayet Anana ◽  
Thierry Roisnel
Keyword(s):  
Hydrogen Bonds ◽  
Three Dimensional ◽  
Two Dimensional ◽  
Asymmetric Unit ◽  
Dimensional Network

The asymmetric unit includes two crystallographically independent equivalents of the title salt, C6H7N2O2 +·ClO4 −. The cations and anions form separate layers alternating along the c axis, which are linked by N—H...O, O—H...O and C—H...O hydrogen bonds into a two-dimensional network parallel to (100). Further C—H...O contacts connect these layers, forming a three-dimensional network, in which R 4 4(20) rings and C 2 2(11) infinite chains can be identified.

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.

Iodo-nitroarenesulfonamides: interplay of hard and soft hydrogen bonds, I...O interactions and aromatic π...π stacking interactions

2001 ◽  
Vol 58 (1) ◽  
pp. 94-108 ◽  
Author(s):  
Craig J. Kelly ◽  
Janet M. S. Skakle ◽  
James L. Wardell ◽  
Solange M. S. V. Wardell ◽  
John N. Low ◽  
...  
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Three Dimensional ◽  
Stacking Interactions ◽  
Asymmetric Unit ◽  
Space Group ◽  
Rotation Axes ◽  
Π Stacking ◽  
Structural Database ◽  
A Chain

Molecules of N-(4′-iodophenylsulfonyl)-4-nitroaniline, 4-O2NC6H4NHSO2C6H4I-4′ (1), are linked by three-centre I...O2N interactions into chains and these chains are linked into a three-dimensional framework by C—H...O hydrogen bonds. In the isomeric N-(4′-nitrophenylsulfonyl)-4-iodoaniline, 4-IC6H4NHSO2C6H4NO2-4′ (2), the chains generated by the I...O2N interactions are again linked into a three-dimensional framework by C—H...O hydrogen bonds. Molecules of N,N-bis(3′-nitrophenylsulfonyl)-4-iodoaniline, 4-IC6H4N(SO2C6H4NO2-3′)2 (3), lie across twofold rotation axes in space group C2/c and they are linked into chains by paired I...O=S interactions: these chains are linked into sheets by a C—H...O hydrogen bond, and the sheets are linked into a three-dimensional framework by aromatic π...π stacking interactions. In N-(4′-iodophenylsulfonyl)-3-nitroaniline, 3-O2NC6H4NHSO2C6H4I-4′ (4), there are R^2_2(8) rings formed by hard N—H...O=S hydrogen bonds and R^2_2(24) rings formed by two-centre I...nitro interactions, which together generate a chain of fused rings: the combination of a C—H...O hydrogen bond and aromatic π...π stacking interactions links the chains into sheets. Molecules of N-(4′-iodophenylsulfonyl)-4-methyl-2-nitroaniline, 4-CH3-2-O2NC6H3NHSO2C6H4I-4′ (5), are linked by N—H...O=S and C—H...O(nitro) hydrogen bonds into a chain containing alternating R^2_2(8) and R^2_2(10) rings, but there are no I...O interactions of either type. There are two molecules in the asymmetric unit of N-(4′-iodophenylsulfonyl)-2-nitroaniline, 2-O2NC6H4NHSO2C6H4I-4′ (6), and the combination of an I...O=S interaction and a hard N—H...O(nitro) hydrogen bond links the two types of molecule to form a cyclic, centrosymmetric four-component aggregate. C—H...O hydrogen bonds link these four-molecule aggregates to form a molecular ladder. Comparisons are made with structures retrieved from the Cambridge Structural Database.

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