scholarly journals Crystal structure of levomepromazine maleate

2016 ◽  
Vol 72 (5) ◽  
pp. 612-615
Author(s):  
Gyula Tamás Gál ◽  
Nóra Veronika May ◽  
Petra Bombicz
Keyword(s):  
Crystal Structure ◽  
Three Dimensional ◽  
Conformational Flexibility ◽  
Ring System ◽  
Neutral Molecule ◽  
Supramolecular Network ◽  
Asymmetric Unit ◽  
Π Interactions ◽  
Methoxy Substituent ◽  
Protonated Molecules

The asymmetric unit of the title salt, C19H25N2OS+·C4H3O4−[systematic name: (S)-3-(2-methoxyphenothiazin-10-yl)-N,N,2-trimethylpropanaminium hydrogen maleate], comprises two (S)-levomepromazine cations and two hydrogen maleate anions. The conformations of the two cations are similar. The major difference relates to the orientation of the methoxy substituent at the phenothiazine ring system. The crystal components form a three-dimensional supramolecular networkviaN—H...O, C—H...O and C—H...π interactions. A comparison of the conformations of the levomepromazine cations with those of the neutral molecule and similar protonated molecules reveals significant conformational flexibility of the phenothiazine ring system and the substituent at the phenothiazine N atom.

scholarly journals Crystal structure of 9-(dibromomethyl)-1,1-difluoro-3,7-dimethyl-1H-[1,3,5,2]oxadiazaborinino[3,4-a][1,8]naphthyridin-11-ium-1-uide

2016 ◽  
Vol 72 (11) ◽  
pp. 1642-1644
Author(s):  
Bang Zhong Wang ◽  
Jun Ping Zhou ◽  
Yong Zhou ◽  
Jian Song Luo ◽  
Shao Ming Chi
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Three Dimensional ◽  
Ring System ◽  
Mirror Plane ◽  
Supramolecular Network ◽  
Axis Direction ◽  
Π Interactions ◽  
Centroid Distance

The molecule of the title 1,8-naphthyridine-BF2derivative, C12H10BBr2F2N3O, is located on a mirror plane running parallel to the entire ring system and the attached methyl C atoms. Individual molecules are stacked along theb-axis direction. The cohesion in the crystal structure is accomplished by C—H...F hydrogen bonds and additional off-set π–π interactions [centroid-to-centroid distance = 3.6392 (9) Å, slippage 0.472 Å], leading to the formation of a three-dimensional supramolecular network.

scholarly journals Crystal structure of an HgIIcoordination polymer with an unsymmetrical dipyridyl ligand:catena-poly[[[dichloridomercury(II)]-μ-N-(pyridin-4-ylmethyl)pyridin-3-amine-κ2N:N′] chloroform hemisolvate]

2016 ◽  
Vol 72 (11) ◽  
pp. 1513-1516 ◽  
Author(s):  
Suk-Hee Moon ◽  
Donghyun Kang ◽  
Ki-Min Park
Keyword(s):  
Crystal Structure ◽  
Rotation Axis ◽  
Solvent Molecule ◽  
Three Dimensional ◽  
Supramolecular Network ◽  
Asymmetric Unit ◽  
Tetrahedral Geometry ◽  
Π Interactions ◽  
Distorted Tetrahedral Geometry ◽  
Solvent Molecules

The asymmetric unit of the title compound, {[HgLCl2]·0.5CHCl3}n(L=N-(pyridin-4-ylmethyl)pyridin-3-amine, C11H11N3), contains one HgIIion, one bridgingLligand, two chloride ligands and a chloroform solvent molecule with half-occupancy that is disordered about a crystallographic twofold rotation axis. Each HgIIion is coordinated by two pyridine N atoms from two symmetry-relatedLligands and two chloride anions in a highly distorted tetrahedral geometry with bond angles falling in the range 99.05 (17)–142.96 (7)°. EachLligand bridges two HgIIions, forming polymeric zigzag chains propagating in [010]. In the crystal, the chains are linked by intermolecular N/C—H...Cl hydrogen bonds together with weak C—H...π interactions, resulting in the formation of a three-dimensional supramolecular network, which is further stabilized by C—Cl...π interactions between the solvent chloroform molecules and the pyridine rings ofL[chloride-to-centroid distances = 3.442 (11) and 3.626 (13) Å]. In addition, weak Cl...Cl contacts [3.320 (5) Å] between the chloroform solvent molecules and the coordinating chloride anions are also observed.

scholarly journals Bis(4-aminopyridinium) dichromate(VI)

2014 ◽  
Vol 70 (7) ◽  
pp. m263-m264 ◽  
Author(s):  
Sonia Trabelsi ◽  
Thierry Roisnel ◽  
Hassouna Dhaouadi ◽  
Houda Marouani
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Three Dimensional ◽  
Supramolecular Network ◽  
Asymmetric Unit ◽  
Π Interactions ◽  
Shortest Distance ◽  
Dichromate Anions

The asymmetric unit of the title salt, (C5H7N2)2[Cr2O7], contains four independent cations and two independent dichromate anions. The crystal structure consists of discrete dichromate anions with an eclipsed conformation stacked in layers parallel to (010) aty= 1/4 andy= 3/4. These layers are linkedvia4-aminopyridinium cations by N—H...O and weak C—H...O hydrogen bonds, forming a three-dimensional supramolecular network. In addition, π–π interactions are present in this structure; the shortest distance separating mean planes through 4-aminopyridinium cations is 3.679 (6) Å.

scholarly journals Dopaminium nitrate

2014 ◽  
Vol 70 (5) ◽  
pp. o571-o572
Author(s):  
Sofian Gatfaoui ◽  
Houda Marouani ◽  
Thierry Roisnel ◽  
Hassouna Dhaouadi
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Three Dimensional ◽  
Supramolecular Network ◽  
Asymmetric Unit ◽  
Nitrate Ions ◽  
Nitrate Anions

The asymmetric unit of the title salt [systematic name: 2-(3,4-dihydroxyphenyl)ethanaminium nitrate], C8H12NO2+·NO3−, contains two independent cations and two independent nitrate anions. The crystal structure consists of discrete nitrate ions stacked in layers parallel to (010). These layers are linkedviathe dopaminium cations by O—H...O, N—H...O and weak C—H...O hydrogen bonds, forming a three-dimensional supramolecular network.

scholarly journals Crystal structure of 1-methyl-4-methylsulfanyl-1H-pyrazolo[3,4-d]pyrimidine

2014 ◽  
Vol 70 (12) ◽  
pp. o1281-o1281 ◽  
Author(s):  
Mohammed El Fal ◽  
Youssef Ramli ◽  
El Mokhtar Essassi ◽  
Mohamed Saadi ◽  
Lahcen El Ammari
Keyword(s):  
Crystal Structure ◽  
Title Compound ◽  
Three Dimensional ◽  
Pyrimidine Ring ◽  
Ring System ◽  
Dimensional Structure ◽  
Mirror Plane ◽  
Three Dimensional Structure ◽  
Π Interactions ◽  
Compound C

In the title compound, C7H8N4S, the non-H atoms of the pyrazolo[3,4-d]pyrimidine ring system and the methylsulfanyl group lie on a crystallographic mirror plane. In the crystal, molecules are linkedviaa number of π–π interactions [centroid–centroid distances vary from 3.452 (7) to 3.6062 (8) Å], forming a three-dimensional structure.

scholarly journals Crystal structure ofcatena-poly[bis(formato-κO)bis[μ2-1,1′-(1,4-phenylene)bis(1H-imidazole)-κ2N3:N3′]cobalt(II)]

2015 ◽  
Vol 71 (9) ◽  
pp. m156-m157
Author(s):  
Guo-Wang Xu ◽  
Ye-Nan Wang ◽  
Hong-Xu Xia ◽  
Zhong-Long Wang
Keyword(s):  
Crystal Structure ◽  
Three Dimensional ◽  
Dimensional Structure ◽  
Supramolecular Network ◽  
Nitrate Hexahydrate ◽  
Coordination Geometry ◽  
Two Dimensional ◽  
Asymmetric Unit ◽  
Hydrogen Bonding Interactions ◽  
Block Shaped Crystal

A red block-shaped crystal of the title compound, [Co(HCOO)2(C12H10N4)2]n, was obtained by the reaction of cobalt(II) nitrate hexahydrate, formic acid and 1,1′-(1,4-phenylene)bis(1H-imidazole) (bib) molecules. The asymmetric unit consists of one CoIIcation, one formate ligand and two halves of a bib ligand. The central CoIIcation, located on an inversion centre, is coordinated by two carboxylate O atoms and four N atoms from bib ligands, completing an octahedral coordination geometry. The CoIIcentres are bridged by bib ligands, giving a two-dimensional net. Topologically, taking the CoIIatoms as nodes and the bib ligands as linkers, the two-dimensional structure can be simplified as a typicalsql/Shubnikov tetragonal plane network. The structure features C—H...O hydrogen-bonding interactions between formate and bib ligands, resulting in a three-dimensional supramolecular network.

scholarly journals Crystal structure ofN-(quinolin-6-yl)hydroxylamine

2014 ◽  
Vol 70 (11) ◽  
pp. 322-324 ◽  
Author(s):  
Anuruddha Rajapakse ◽  
Roman Hillebrand ◽  
Sarah M. Lewis ◽  
Zachary D. Parsons ◽  
Charles L. Barnes ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Three Dimensional ◽  
Dimensional Structure ◽  
Asymmetric Unit ◽  
Π Interactions ◽  
Compound C ◽  
Independent Molecules ◽  
A Minor

The title compound, C9H8N2O, crystallized with four independent molecules in the asymmetric unit. The four molecules are linkedviaone O—H...N and two N—H...N hydrogen bonds, forming a tetramer-like unit. In the crystal, molecules are further linked by O—H...N and N—H...O hydrogen bonds forming layers parallel to (001). These layers are linkedviaC—H...O hydrogen bonds and a number of weak C—H...π interactions, forming a three-dimensional structure. The crystal was refined as a non-merohedral twin with a minor twin component of 0.319.

scholarly journals Crystal structure and Hirshfeld surface analysis of 3,4-dihydro-2H-anthra[1,2-b][1,4]dioxepine-8,13-dione

2020 ◽  
Vol 76 (4) ◽  
pp. 576-580
Author(s):  
Sofia Zazouli ◽  
Mohammed Chigr ◽  
Ahmed Jouaiti ◽  
Nathalie Kyritsakas ◽  
El Mostafa Ketatni
Keyword(s):  
Crystal Structure ◽  
Solid State ◽  
Surface Analysis ◽  
Three Dimensional ◽  
Ring System ◽  
Hirshfeld Surface ◽  
Hirshfeld Surface Analysis ◽  
Supramolecular Network ◽  
Compound C ◽  
The Mean

The title compound, C17H12O4, was synthesized from the dye alizarin. The dihedral angle between the mean plane of the anthraquinone ring system (r.m.s. deviation = 0.039 Å) and the dioxepine ring is 16.29 (8)°. In the crystal, the molecules are linked by C—H...O hydrogen bonds, forming sheets lying parallel to the ab plane. The sheets are connected through π–π and C=O...π interactions to generate a three-dimensional supramolecular network. Hirshfeld surface analysis was used to investigate intermolecular interactions in the solid-state: the most important contributions are from H...H (43.0%), H...O/O...H (27%), H...C/C...H (13.8%) and C...C (12.4%) contacts.

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 (4-Aminosulfonylphenyl)[(2-oxidonaphthalen-1-yl)imino]azanium

IUCrData ◽  
2016 ◽  
Vol 1 (4) ◽  
Author(s):  
A. Benosmane ◽  
D. A. Rouag ◽  
A. Mili ◽  
H. Merazig ◽  
M. A. Benaouida
Keyword(s):  
Crystal Structure ◽  
Double Bond ◽  
Hydrogen Bonds ◽  
Three Dimensional ◽  
Supramolecular Network ◽  
Stacking Interactions ◽  
Asymmetric Unit ◽  
Aromatic Rings ◽  
Compound C ◽  
Π Stacking

The crystal structure of the title compound, C16H13N3O3S, shows that the two independent zwitterions in the asymmetric unit are approximately planar. Intramolecular N—H...O hydrogen bonds occur and the aromatic rings have atransconfiguration with respect to the azo double bond. In the crystal, the molecules are linkedviaN—H...O hydrogen bonds and π–π stacking, forming a three-dimensional supramolecular network, the π–π stacking interactions between adjacent benzene and naphthalene rings having centroid-to-centroid distances of 3.764 (3) and 3.775 (3) Å.

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