scholarly journals Crystal structure of 9-aminoacridinium chloride N,N-dimethylformamide monosolvate

2021 ◽  
Vol 77 (12) ◽  
Author(s):  
Igor O. Fritsky ◽  
Valerii Y. Sirenko ◽  
Sergiu Shova ◽  
Olesia I. Kucheriv ◽  
Il'ya A. Gural'skiy
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Electrostatic Interactions ◽  
Chloride Ions ◽  
Monoclinic Space Group ◽  
Asymmetric Unit ◽  
Amino Groups ◽  
Central Ring ◽  
Π Interactions ◽  
Short Contacts

9-Aminoacridinium chloride N,N-dimethylformamide monosolvate, C13H11N2 +Cl−·C3H7NO, crystallizes in the monoclinic space group P21/c. The salt was crystallized from N,N-dimethylformamide. The asymmetric unit consists of two C13H11N2 +Cl− formula units. The 9-aminoacridinium (9-AA) molecules are protonated with the proton on the N atom of the central ring. This N atom is connected to an N,N-dimethylformamide molecule by a hydrogen bond. The H atoms of the amino groups create short contacts with two chloride ions. The 9-AA cations in adjacent layers are oriented in an antiparallel manner. The molecules are linked via a network of multidirectional π–π interactions between the 9-AA rings, and the whole lattice is additionally stabilized by electrostatic interactions between ions.

scholarly journals Crystal structure of bis[(R,R)-1,2-(binaphthylphosphonito)ethane]dichloridoiron(II) dichloromethane disolvate

2020 ◽  
Vol 76 (9) ◽  
pp. 1525-1527
Author(s):  
Benjamin E. Rennie ◽  
Alan J. Lough ◽  
Robert H. Morris
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Title Compound ◽  
Rotation Axis ◽  
Solvent Molecule ◽  
Octahedral Coordination ◽  
Coordination Geometry ◽  
Asymmetric Unit ◽  
Π Interactions

In the title compound (systematic name: bis{1,2-bis[12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3(8),4,6,9,16,18(23),19,21-decaen-13-yl]ethane}dichloridoiron(II) dichloromethane disolvate), [FeCl2(C42H28O4P2)2]·2CH2Cl2, the FeII ion lies on a crystallographic twofold rotation axis and is coordinated by four P atoms from two (R,R)-1,2-bis(binaphthylphosphonito)ethane (BPE) ligands and two Cl ligands in a distorted cis-FeCl2P4 octahedral coordination geometry. In the crystal, weak C—H...O and C—H...π interactions link the molecules into layers lying parallel to (001). A weak intramolecular C—H...O hydrogen bond is also observed. The asymmetric unit contains one CH2Cl2 solvent molecule, which is disordered over two sets of site with refined occupancies in the ratio 0.700 (6):0.300 (6).

scholarly journals Crystal structure of (E)-2-[(2-bromopyridin-3-yl)methylidene]-6-methoxy-3,4-dihydronaphthalen-1(2H)-one and 3-[(E)-(6-methoxy-1-oxo-1,2,3,4-tetrahydronaphthalen-2-ylidene)methyl]pyridin-2(1H)-one

2016 ◽  
Vol 72 (7) ◽  
pp. 955-958 ◽  
Author(s):  
Sarah K. Zingales ◽  
Morgan E. Moore ◽  
Andrew D. Goetz ◽  
Clifford W. Padgett
Keyword(s):  
Crystal Structure ◽  
Dihedral Angles ◽  
Asymmetric Unit ◽  
Compound I ◽  
Air Exposure ◽  
Π Interactions ◽  
Benzene Rings ◽  
Independent Molecules ◽  
Compound Ii ◽  
Short Contacts

The title compounds C17H14BrNO2, (I), and C17H15NO3, (II), were obtained from the reaction of 6-methoxy-3,4-dihydro-2H-naphthalen-1-one and 2-bromonicotinaldehyde in ethanol. Compound (I) was the expected product and compound (II) was the oxidation product from air exposure. In the crystal structure of compound (I), there are no short contacts or hydrogen bonds. The structure does display π–π interactions between adjacent benzene rings and adjacent pyridyl rings. Compound (II) contains two independent molecules,AandB, in the asymmetric unit; both are non-planar, the dihedral angles between the methoxybenzene and 1H-pyridin-2-one mean planes being 35.07 (9)° inAand 35.28 (9)°inB. In each molecule, the 1H-pyridin-2-one unit participates in intermolecular N—H...O hydrogen bonding to another molecule of the same type (AtoAorBtoB). The structure also displays π–π interactions between the pyridyl and the benzene rings of non-equivalent molecules (viz.,AtoBandBtoA).

scholarly journals Synthesis, crystal structure and catalytic activity in reductive amination of dichlorido(η6-p-cymene)(2′-dicyclohexylphosphanyl-2,6-dimethoxybiphenyl-κP)ruthenium(II)

2018 ◽  
Vol 74 (4) ◽  
pp. 487-491 ◽  
Author(s):  
Maria Makarova ◽  
Alexey A. Tsygankov ◽  
Olga Chusova ◽  
Ivan V. Linko ◽  
Pavel V. Dorovatovskii ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Catalytic Activity ◽  
Reductive Amination ◽  
Active Catalyst ◽  
Monoclinic Space Group ◽  
Asymmetric Unit ◽  
Π Interactions ◽  
Amination Reaction ◽  
Benzene Rings ◽  
Independent Molecules

The title compound, [RuCl2(C10H14)(C26H35O2P)] (I), crystallizes in the monoclinic space group P21/c with two crystallographically independent molecules (A and B) in the asymmetric unit. The geometries of both molecules are very similar and distinguished only by the twist angles of the two benzene rings in the phosphine substituents [89.54 (14) and 78.36 (14)° for molecules A and B, respectively]. The Ru atoms have classical pseudo-tetrahedral piano-stool coordination environments. The conformation of each molecule is stabilized by intramolecular C—H...O and C—H...Cl hydrogen bonds and C—H...π interactions. The two molecules are linked by a C—H...Cl hydrogen bond. In the crystal, the molecules are further linked by C—H... π interactions, forming –A–B–A–B– chains propagating along the a-axis direction. Complex I is an active catalyst for reductive amination reaction. The catalytic activity of this complex can be explained by the lability of the p-cymene ligand, which can be replaced by two-electron ligands such as CO or amine.

scholarly journals Crystal structure of difluorido{2-[(4-hydroxyphenyl)diazenyl]-3,5-dimethylpyrrolido}boron

2018 ◽  
Vol 74 (5) ◽  
pp. 743-746
Author(s):  
Huixiao Feng ◽  
Zhenming Yin
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Asymmetric Unit ◽  
One Dimensional ◽  
Π Interactions ◽  
Independent Molecules

The asymmetric unit of the title azopyrrole-BF2 complex, C12H12BF2N3O, contains two independent molecules, which are linked by an O—H...O hydrogen bond. The dimers are further assembled into a one-dimensional ladder-like structure through O—H...F hydrogen bonds and stabilized by π–π interactions. The ladders are further linked by C—H...π contacts.

scholarly journals Crystal structure of (4Z)-1-(3,4-dichlorophenyl)-4-[hydroxy(4-methylphenyl)methylidene]-3-methyl-4,5-dihydro-1H-pyrazol-5-one

2014 ◽  
Vol 70 (10) ◽  
pp. o1136-o1137 ◽  
Author(s):  
Naresh Sharma ◽  
Sanjay Parihar ◽  
R. N. Jadeja ◽  
Rajni Kant ◽  
Vivek K. Gupta
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Title Compound ◽  
Three Dimensional ◽  
Pyrazole Ring ◽  
Dihedral Angles ◽  
Asymmetric Unit ◽  
Π Interactions ◽  
Compound C ◽  
Dimensional Network

The title compound, C18H14Cl2N2O2, crystallizes with two molecules,AandB, in the asymmetric unit. In moleculeA, the dihedral angles between the central pyrazole ring and pendant dichlorobenzene andp-tolyl rings are 2.18 (16) and 46.78 (16)°, respectively. In moleculeB, the equivalent angles are 27.45 (16) and 40.45 (18)°, respectively. Each molecule features an intramolecular O—H...O hydrogen bond, which closes anS(6) ring and moleculeAalso features a C—H...O interaction. In the crystal, weak C—H...π interactions and aromatic π–π stacking [shortest centroid–centroid separation = 3.707 (2) Å] generate a three-dimensional network.

scholarly journals Crystal structure of 4-methylsulfanyl-2-(2H-tetrazol-2-yl)pyrimidine

2015 ◽  
Vol 71 (12) ◽  
pp. o1051-o1052 ◽  
Author(s):  
Andreas Thomann ◽  
Volker Huch ◽  
Rolf W. Hartmann
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Title Compound ◽  
Tetrazole Ring ◽  
Asymmetric Unit ◽  
Torsion Angles ◽  
Π Interactions ◽  
Compound C ◽  
Centroid Distance ◽  
Independent Molecules

The title compound, C6H6N6S, crystallized with two independent molecules (AandB) in the asymmetric unit. The conformation of the two molecules differs slightly. While the tetrazole ring is inclined to the pyrimidene ring by 5.48 (7) and 4.24 (7)° in moleculesAandB, respectively, the N—C—S—C torsion angles of the thiomethyl groups differ byca180°. In the crystal, theAandBmolecules are linkedviaa C—H...N hydrogen bond. They stack along theb-axis direction forming columns within which there are weak π–π interactions present [shortest inter-centroid distance = 3.6933 (13) Å].

scholarly journals 4-Bromo-2-[({2-[(2-hydroxyethyl)amino]ethyl}imino)methyl]phenol

IUCrData ◽  
2021 ◽  
Vol 6 (4) ◽  
Author(s):  
Erika Samoľová ◽  
Aliakbar Dehno Khalaji ◽  
Václav Eigner
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Condensation Reaction ◽  
Monoclinic Space Group ◽  
Asymmetric Unit ◽  
Compound C ◽  
Independent Molecules ◽  
Schiff Base Compound ◽  
Ring Motif ◽  
Base Compound

The new title Schiff base compound, C11H15BrN2O2, crystallizes in the monoclinic space group P21 with two independent molecules in the asymmetric unit. It was prepared by the condensation reaction of 5-bromo-2-hydroxybenzaldehyde and aminoethylethanolamine. There is an intramolecular O—H...N hydrogen bond with an S(6) ring motif. Moreover, there are intermolecular C—H...N, C—H...O and Br...O interactions in the crystal structure of the title compound.

scholarly journals Crystal structure of (E)-4-hydroxy-N′-(3-methoxybenzylidene)benzohydrazide

2016 ◽  
Vol 72 (9) ◽  
pp. 1339-1342 ◽  
Author(s):  
Suchada Chantrapromma ◽  
Patcharawadee Prachumrat ◽  
Pumsak Ruanwas ◽  
Nawong Boonnak ◽  
Mohammad B. Kassim
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Methoxy Group ◽  
Dihedral Angles ◽  
Asymmetric Unit ◽  
Π Interactions ◽  
Compound C ◽  
Benzene Rings ◽  
Independent Molecules

The title compound, C15H14N2O3, crystallizes with two independent molecules (AandB) in the asymmetric unit that differ in the orientation of the 3-methoxyphenyl group with respect to the methylidenebenzohydrazide unit. The dihedral angles between the two benzene rings are 24.02 (10) and 29.30 (9)° in moleculesAandB, respectively. In moleculeA, the methoxy group is twisted slightly relative to its bound benzene ring, with a Cmethyl—O—C—C torsion angle of 14.2 (3)°, whereas it is almost co-planar in moleculeB, where the corresponding angle is −2.4 (3)°. In the crystal, the molecules are linked by N—H...O, O—H...N and O—H...O hydrogen bonds, as well as by weak C—H...O interactions, forming sheets parallel to thebcplane. The N—H...O hydrogen bond and weak C—H...O interaction link different molecules (A...B) whereas both O—H...N and O—H...O hydrogen bonds link like molecules (A...A) and (B...B). Pairs of inversion-relatedBmolecules are stacked approximately along theaaxis by π–π interactions in which the distance between the centroids of the 3-methoxyphenyl rings is 3.5388 (12) Å. TheBmolecules also participate in weak C—H...π interactions between the 4-hydroxyphenyl and the 3-methoxyphenyl rings.

scholarly journals Crystal structure of 4-amino-5-fluoro-2-oxo-2,3-dihydropyrimidin-1-ium 3-hydroxypyridine-2-carboxylate

2014 ◽  
Vol 70 (11) ◽  
pp. 328-330 ◽  
Author(s):  
Ammasai Karthikeyan ◽  
Packianathan Thomas Muthiah ◽  
Franc Perdih
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Three Dimensional ◽  
Amine Group ◽  
Asymmetric Unit ◽  
Π Interactions ◽  
Ring Motif

The asymmetric unit of the title salt, C4H5FN3O+·C6H4NO3−, contains one 4-amino-5-fluoro-2-oxo-2,3-dihydropyrimidin-1-ium (5-fluorocytosinium, 5FC) cation and a 3-hydroxypicolinate (3HAP) anion. The 4-amino-5-fluoro-2-oxo-2,3-dihydropyrimidine molecule is protonated at one of the pyrimidine N atoms. The typical intramolecular N—H...F and O—H...OS(5) andS(6) hydrogen-bond ring motifs are observed in the cations and anions. The protonated N atom and 2-amine group of the 5FC cation interact with the 3HPA anion through a pair of nearly parallel N—H...O hydrogen bonds, forming a robustR22(8) ring motif. The ions are further linked by N—H...N, O—H...O, N—H...O and C—H...O hydrogen bonds, generatingR22(7),R33(12) andR65(18) ring motifs, respectively, leading to supramolecular wave-like sheets parallel to (010). The crystal structure is further stabilized by C—H...π interactions, generating a three-dimensional architecture.

scholarly journals 4-Chloro-2-[(2,6-diisopropylphenyl)iminomethyl]phenol

2012 ◽  
Vol 68 (6) ◽  
pp. o1721-o1721
Author(s):  
P. Balamurugan ◽  
K. Kanmani Raja ◽  
D. Easwaramoorthy ◽  
G. Chakkaravarthi ◽  
G. Rajagopal
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Title Compound ◽  
Dihedral Angles ◽  
Asymmetric Unit ◽  
Aromatic Rings ◽  
Π Interactions ◽  
Compound C ◽  
Independent Molecules

The asymmetric unit of the title compound, C19H22ClNO, contains two independent molecules in which the dihedral angles between the aromatic rings are 76.45 (9) and 74.69 (9)°. An intramolecular O—H...N hydrogen bond occurs in each molecule. The crystal structure features weak C—H...π interactions.

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