scholarly journals The Influence of Solvent on the Crystal Packing of Ethacridinium Phthalate Solvates

Materials ◽  
2020 ◽  
Vol 13 (22) ◽  
pp. 5073
Author(s):  
Artur Mirocki ◽  
Artur Sikorski
Keyword(s):  
Hydrogen Bonds ◽  
Structural Characterization ◽  
Phthalic Acid ◽  
Crystal Packing ◽  
Single Crystal Xrd ◽  
Ethanol Solvate ◽  
Different Types ◽  
Solvent Molecules ◽  
Influence Of Solvents ◽  
Influence Of Solvent

The synthesis, structural characterization and influence of solvents on the crystal packing of solvated complexes of ethacridine with phthalic acid: 6,9-diamino-2-ethoxyacridinium phthalate methanol solvate (1), 6,9-diamino-2-ethoxyacridinium phthalate ethanol solvate (2), 6,9-diamino-2-ethoxyacridinium phthalate isobutanol solvate (3), and 6,9-diamino-2-ethoxyacridinium phthalate tert-butanol solvate monohydrate (4) are described in this article. Single-crystal XRD measurements revealed that the compounds 1–4 crystallized in the triclinic P-1 space group, and the 6,9-diamino-2-ethoxyacridinium cations, phthalic acid anions and solvent molecules interact via strong N–H···O, O–H···O, C–H···O hydrogen bonds, and C–H···π and π–π interactions to form different types of basic structural motifs, such as: heterotetramer bis[···cation···anion···] in compound 1 and 2, heterohexamer bis[···cation···alcohol···anion···] in compound 3, and heterohexamer bis[···cation···water···anion···] in compound 4. Presence of solvents molecule(s) in the crystals causes different supramolecular synthons to be obtained and thus has an influence on the crystal packing of the compounds analyzed.

scholarly journals fac-[1,2-Bis(pyridin-4-yl)ethane-κN]tricarbonyl(1,10-phenanthroline-κ2N,N′)rhenium(I) hexafluoridophosphate acetonitrile monosolvate

2014 ◽  
Vol 70 (7) ◽  
pp. m278-m279 ◽  
Author(s):  
Silvana Guilardi ◽  
Antonio Otavio Toledo Patrocinio ◽  
Sinval Fernandes de Sousa ◽  
Javier Ellena
Keyword(s):  
Hydrogen Bonds ◽  
Crystal Packing ◽  
Solvent Molecule ◽  
Octahedral Geometry ◽  
Distorted Octahedral Geometry ◽  
Asymmetric Unit ◽  
Carbonyl Ligands ◽  
Distorted Octahedral ◽  
Phenanthroline Ligand ◽  
Solvent Molecules

The asymmetric unit of the title compound, [Re(C12H8N2)(C12H12N2)(CO)3]PF6.·CH3CN, contains one cation, one hexafluoridophosphate anion and one acetonitrile solvent molecule. The ReIion is coordinated by two N atoms from the 1,10-phenanthroline ligand and one N atom from the 1,2-bis(pyridin-4-yl)ethane ligand [mean Re—N = 2.191 (15) Å] and by three carbonyl ligands [mean Re—C = 1.926 (3) Å] in a distorted octahedral geometry. The electrostatic forces and weak C—H...F(O) hydrogen bonds pack cations and anions into the crystal with voids of 82 Å3, which are filled by solvent molecules. The crystal packing exhibits short intermolecular O...O distance of 2.795 (5) Å between two cations related by inversion.

Dicatharanthinium (2R,3R)-tartrate trihydrate

2006 ◽  
Vol 62 (4) ◽  
pp. o1414-o1416
Author(s):  
Sai-Feng Pei ◽  
Cui-Rong Sun ◽  
Mao-Lin Hu ◽  
Yuan-Jiang Pan
Keyword(s):  
Hydrogen Bonds ◽  
Crystal Packing ◽  
Chair Conformation ◽  
Ring System ◽  
Indole Ring ◽  
Intermolecular Hydrogen Bonds ◽  
Water Solvent ◽  
Planar Conformation ◽  
Solvent Molecules ◽  
Tartrate Anion

The title salt, bis(methyl 3,4-didehydroibogamin-6-ium-18-carboxylate) (2R,3R)-tartrate trihydrate, 2C21H25N2O2 +·C4H4O6 2−·3H2O, contains two catharanthinium cations, a (2R,3R)-tartrate anion and three water solvent molecules. The cation contains an indole ring system with a planar conformation and a seven-membered nitrogen-containing ring with a distorted chair conformation. A network of O—H...O and N—H...O intermolecular hydrogen bonds stabilizes the crystal packing.

scholarly journals catena-Poly[[[triaqua[3-(4-carboxyphenoxy)phthalato-κO2]manganese(II)]-μ-4,4′-bipyridine-κ2N:N′] 4,4′-bipyridine monosolvate dihydrate]

2013 ◽  
Vol 69 (2) ◽  
pp. m124-m124
Author(s):  
Wei Sun
Keyword(s):  
Hydrogen Bonds ◽  
Carboxy Group ◽  
Phthalic Acid ◽  
Three Dimensional ◽  
Water Molecules ◽  
Water Solvent ◽  
Acid Ligand ◽  
Dimensional Network ◽  
Solvent Molecules ◽  
A Chain

In the title compound, {[Mn(C15H8O7)(C10H8N2)(H2O)3]·C10H8N2·2H2O}n, the bridging mode of the coordinating 4,4′-bipyridine ligands leads to the formation of polymeric zigzag chains parallel to [0-11]. The chains are separated by 4,4′-bipyridine and water solvent molecules. Within a chain, the MnIIatom is six-coordinated by two N atoms of the bridging 4,4′-bipyridine ligands, three water O atoms and one carboxylate O atom of a single deprotonated 3-(4-carboxyphenoxy)phthalic acid ligand. Both coordinating and solvent 4,4′-bipyridine molecules are situated on centres of inversion. An intricate network of O—H...O and O—H...N hydrogen bonds involving the carboxy group, the coordinating water molecules and the two types of solvent molecules leads to the formation of a three-dimensional network.

scholarly journals Diaquatetrakis(dimethyl sulfoxide-κO)cobalt(II) bis[diamminetetrakis(thiocyanato-κN)chromate(III)] dimethyl sulfoxide hexasolvate dihydrate

IUCrData ◽  
2016 ◽  
Vol 1 (10) ◽  
Author(s):  
Julia A. Rusanova ◽  
Viktoriya V. Dyakonenko ◽  
Valentina V. Semenaka
Keyword(s):  
Hydrogen Bonds ◽  
Dimethyl Sulfoxide ◽  
Crystal Packing ◽  
Three Dimensional ◽  
Dimensional System ◽  
Water Solvent ◽  
Counter Ions ◽  
Solvent Molecules ◽  
Three Dimensional System

The solvated title salt, [Co(C2H6OS)4(H2O)2][Cr(NCS)4(NH3)2]·6C2H6OS·2H2O, is build up from a complex [Co(DMSO)4(H2O)2]2+ cation (where DMSO is dimethyl sulfoxide), two Reinecke's Salt anions, i.e. [Cr(NCS)4(NH3)2]−, as the complex counter-ions, together with solvent molecules (six DMSO and two water). The crystal packing consists of a branched three-dimensional system of hydrogen bonds involving the DMSO and water solvent molecules, the S atoms of the thiocyanate ligands, and the coordinating NH3 and H2O molecules.

scholarly journals Crystal structure ofcis-tetraaquadichloridocobalt(II) sulfolane disolvate

2015 ◽  
Vol 71 (2) ◽  
pp. m16-m17 ◽  
Author(s):  
Mhamed Boudraa ◽  
Sofiane Bouacida ◽  
Hasna Bouchareb ◽  
Hocine Merazig ◽  
El Hossain Chtoun
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Crystal Packing ◽  
Rotation Axis ◽  
Water Molecules ◽  
Hydrogen Bond Donor ◽  
Linear Arrangement ◽  
Hydrogen Bond Acceptor ◽  
Chloride Ligand ◽  
Solvent Molecules

In the title compound, [CoCl2(H2O)4]·2C4H8SO2, the CoIIcation is located on the twofold rotation axis and is coordinated by four water molecules and two adjacent chloride ligands in a slightly distorted octahedral coordination environment. Thecisoidangles are in the range 83.27 (5)–99.66 (2)°. The threetransoidangles deviate significantly from the ideal linear angle. The crystal packing can be described as a linear arrangement of complex units alongcformed by bifurcated O—H...Cl hydrogen bonds between two water molecules from one complex unit towards one chloride ligand of the neighbouring complex. Two solvent molecules per complex are attached to this infinite chainviaO—H...O hydrogen bonds in which water molecules act as the hydrogen-bond donor and sulfolane O atoms as the hydrogen-bond acceptor sites.

scholarly journals 1,3,5-Tri-p-tolylpentane-1,5-diol

2014 ◽  
Vol 70 (2) ◽  
pp. o122-o123 ◽  
Author(s):  
A. Thiruvalluvar ◽  
R. Chithiravel ◽  
S. Muthusubramanian ◽  
R. J. Butcher
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Crystal Packing ◽  
Dihedral Angles ◽  
Structure Parameter ◽  
Acta Cryst ◽  
Compound C ◽  
Benzene Rings ◽  
Solvent Molecules ◽  
Absolute Structure

In the title compound, C26H30O2, the central benzene ring forms dihedral angles of 14.85 (15) and 28.17 (14)° with the terminal benzene rings. The dihedral angle between the terminal benzene rings is 32.14 (13)°. The crystal packing exhibits two strong intermolecular O—H...O hydrogen bonds, forming directed four-membered co-operative rings. A region of disordered electron density, most probably disordered ethyl acetate solvent molecules, occupying voids ofca519 Å3for an electron count of 59, was treated using the SQUEEZE routine inPLATON[Spek (2009).Acta Cryst.D65, 148–155]. Their formula mass and unit-cell characteristics were not taken into account during refinement. The structure was refined as an inversion twin [absolute structure parameter = −0.3 (4)].

scholarly journals Crystal structure of catena-poly[[[dichloridocopper(II)]-{μ-tert-butyl N-methyl-N-[4-(6-{[4-(pyridin-2-yl-κN)-1H-1,2,3-triazol-1-yl-κN 3]methyl}-1,3-benzothiazol-2-yl)phenyl]carbamato}] acetonitrile monosolvate]

2018 ◽  
Vol 74 (2) ◽  
pp. 158-162
Author(s):  
Alexandre Pocinho ◽  
Carine Duhayon ◽  
Emmanuel Gras ◽  
Christelle Hureau
Keyword(s):  
Crystal Structure ◽  
Coordination Polymer ◽  
Hydrogen Bonds ◽  
Crystal Packing ◽  
Three Dimensional ◽  
Polymer Chains ◽  
Stacking Interactions ◽  
Apical Position ◽  
Carbamate Group ◽  
Solvent Molecules

In the title coordination polymer, {[CuCl2(C27H26N6O2S)]·CH3CN} n , the copper(II) ion is fivefold coordinated, with an almost perfect square-pyramidal coordination sphere. In the equatorial plane, it is ligated to a pyridine N atom and an N atom of the triazole unit and to two Cl− ions, while the apical position is occupied by the carbonyl O atom of the tert-butyl carbamate group. In the crystal, the polymer chains propagate in the [11-1] direction, with the acetonitrile solvent molecules linked to the chain by C—H...N hydrogen bonds. The chains are linked by C—H...Cl hydrogen bonds forming sheets parallel to the plane (011). The crystal packing is further consolidated by C—H...π interactions and offset π–π stacking interactions [intercentroid distance = 3.6805 (15) Å], forming a three-dimensional supramolecular structure.

Cocrystals of 6-chlorouracil and 6-chloro-3-methyluracil: exploring their hydrogen-bond-based synthon motifs with several triazine and pyrimidine derivatives

2015 ◽  
Vol 71 (2) ◽  
pp. 209-220 ◽  
Author(s):  
Valeska Gerhardt ◽  
Ernst Egert
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonding ◽  
Hydrogen Bonds ◽  
Crystal Packing ◽  
Two Dimensional ◽  
Halogen Bonds ◽  
Methyl Derivative ◽  
Pyrimidine Derivatives ◽  
Triazine Derivatives ◽  
Solvent Molecules

In order to obtain complexes held together by hydrogen as well as halogen bonds, 6-chlorouracil [6-chloropyrimidin-2,4(1H,3H)-dione; 6CU] and its 3-methyl derivative [6-chloro-3-methylpyrimidin-2,4(1H,3H)-dione; M6CU] were cocrystallized with 2,4,6-triaminopyrimidine and the three triazine derivatives 2,4,6-triamino-1,3,5-triazine (melamine), 2,4-diamino-6-methyl-1,3,5-triazine and 2-chloro-4,6-diamino-1,3,5-triazine, which all offer complementary hydrogen-bonding sites. Three of these compounds form cocrystals with 6CU; however, melamine yielded only a new pseudopolymorph with 6CU, but formed a cocrystal with M6CU. All six cocrystals contain solvent molecules (N,N-dimethylformamide,N,N-dimethylacetamide orN-methylpyrrolidin-2-one), whose intermolecular interactions contribute significantly to the stabilization of the crystal packing. Each of these structures comprises chains, which are primarily formed by strong hydrogen bonds with a basic framework built byR22(8) hydrogen bonds of either pure N—H...N or mixed patterns. Solvent molecules are aligned to the border of these chainsviaN—H...O hydrogen bonds. Two of the reported crystal structures containing 6CU show additional Cl...O halogen bonds, which connect the chains to two-dimensional layers, while one weak and one strong Cl...Cl interaction are observed in the two structures in which molecules of M6CU are present.

Solvent influence on the crystal packing of 6-aminothiocytosine

2020 ◽  
Vol 76 (3) ◽  
pp. 250-257 ◽  
Author(s):  
Anita M. Grześkiewicz ◽  
Agata Ostrowska ◽  
Maciej Kubicki
Keyword(s):  
Hydrogen Bonds ◽  
Crystal Structures ◽  
Crystal Packing ◽  
Solvent Molecule ◽  
Fingerprint Analysis ◽  
Supramolecular Motifs ◽  
Solvent Influence ◽  
Independent Molecules ◽  
Solvent Molecules ◽  
Additional Interpretation

The crystal structures of 6-aminothiocytosine (systematic name: 4,6-diamino-1,2-dihydropyrimidine-2-thione, DAPMT, C4H6N4S), its hemihydrate (0.5H2O) and its dimethylformamide (DMF, C3H7NO) monosolvate were compared, and the influence of the type of solvent on the supramolecular motifs was analysed. In all three crystal structures, there are two symmetry-independent molecules (A and B), and these molecules are connected by three relatively short and directional hydrogen bonds to form chains of alternating A and B molecules. A further organization of these chains is dependent on the nature of the solvent molecule. In the unsolvated form, two orientations of the neighbouring chains are observed, and similar motifs – but only one per structure – can be observed in the solvated structures. These two different motifs can be connected by two different kinds of contacts, i.e. either π–π (hemihydrate) or staple-supported S...S (DMF). In the crystal structures, the O atoms of the solvent molecules are double acceptors of the same type of hydrogen bonds and bind the chains of DAPMT molecules into different motifs (dimeric or infinite chains). A Hirshfeld fingerprint analysis was used for visualization and additional interpretation of these results.

[2-Oxidobenzaldehyde (4-hydroxylbenzoyl)hydrazonato]diphenyltin(IV) ethanol solvate

2006 ◽  
Vol 62 (7) ◽  
pp. m1504-m1505 ◽  
Author(s):  
Min Hong ◽  
Han-Dong Yin ◽  
Da-Qi Wang
Keyword(s):  
Crystal Packing ◽  
Title Complex ◽  
Trigonal Bipyramidal Geometry ◽  
Trigonal Bipyramidal ◽  
Ethanol Solvate ◽  
Solvent Molecules ◽  
Distorted Trigonal Bipyramidal ◽  
Hydrogen Bonded

In the title complex, [Sn(C6H5)2(C14H10N2O3)]·C2H6O, the Sn atom is in a distorted trigonal–bipyramidal geometry, with Sn—O distances of 2.077 (4) and 2.130 (4) Å. The crystal packing shows a hydrogen-bonded dimeric arrangement of two Sn complexes and two ethanol solvent molecules located about a crystallographic inversion centre.

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