scholarly journals Synthesis and Characterization of (Z)-Furan-2-carbaldehyde Thiosemicarbazone at Low Temperature

2010 ◽  
Vol 7 (s1) ◽  
pp. S294-S298 ◽  
Author(s):  
Alireza Abbasi ◽  
Shokoofeh Geranmayeh ◽  
Ali Naghi Taheri ◽  
Hashem Shahroosvand ◽  
Mohsen Shabani
Keyword(s):  
Crystal Structure ◽  
Three Dimensional ◽  
Synthesis And Characterization ◽  
Monoclinic Space Group ◽  
X Ray ◽  
Π Interactions ◽  
Compound C ◽  
Weak Hydrogen Bonds ◽  
Dimensional Crystal

The compound, C6H7N3OS, has been prepared and characterized by condensation between thiosemicarbazide and furan-2-carbaldehyde and its structure was elucidated by x-ray analysis (at 150 K), NMR and IR spectroscopy methods (at ambient temperature). It crystallizes in the monoclinic space groupP21/c(No. 14), a = 13.5099(3) Å, b = 5.67430(10) Å, c = 23.4755(6) Å, β= 117.367(2)°, V = 1598.20(7) Å3and Z = 8. The crystal structure was solved and refined to R = 0.0290 with 2942 unique reflections. No significant π-π interactions are found in the crystal structure. There are C-H…π interactions and also different weak hydrogen bonds, stabilizing the three dimensional crystal structure.

scholarly journals Preparation and Characterization of 2-Phenoxyethyl(thiophen-2-yl)tellane (C4H3S)TeCH2CH2OC6H5

2006 ◽  
Vol 61 (1) ◽  
pp. 61-64
Author(s):  
Ludmila Vigo ◽  
Raija Oilunkaniemi ◽  
Risto S. Laitinen
Keyword(s):  
Three Dimensional ◽  
Monoclinic Crystal ◽  
X Ray ◽  
Compound C ◽  
Dimensional Network ◽  
Cell Dimensions ◽  
Weak Hydrogen Bonds ◽  
Intermolecular Contacts ◽  
Unit Cell Dimensions

The synthesis and structure of (C4H3S)TeCH2CH2OC6H5 (1) (C4H3S = thiophen-2-yl) are reported and compared to those of the analogous selenium compound (C4H3S)SeCH2CH2OC6H5 previously synthesized by our group. The compound was characterized by 1H, 13C{1H}-, and 125Te- NMR spectroscopy as well as by X-ray single crystal crystallography. 1 crystallizes in the monoclinic crystal system, space group P21, with Z = 2, and unit cell dimensions a = 10.618(2) Å , b = 5.357(1) Å , c = 10.684(2) Å , β = 96.57(3)°. The lattice is composed of discrete molecules that are joined together by weak hydrogen bonds into a three-dimensional network. The thiophen-2-yl ring is disordered and shows two alternative orientations with the site occupation factors of 0.70(1) and 0.30(1). All bond parameters are quite normal. The comparison of the lattices in 1 and in its selenium anologue shows that while the closest intermolecular contacts are similar, the packing of the molecules is different.

Synthesis, Spectral, Thermal and Structural Characterization of the Copper(II) Saccharinato Complex of 2–Aminopyrimidine, [Cu(sac–O)2(ampym–N)2(H2O)2]·2ampym

2006 ◽  
Vol 61 (2) ◽  
pp. 153-158
Author(s):  
Okan Zafer Yeşilel ◽  
Halis Ölmez ◽  
Hümeyra Paşaoğlu ◽  
Gökhan Kaştaş ◽  
Orhan Büyükgüngör
Keyword(s):  
Crystal Structure ◽  
Monoclinic Space Group ◽  
X Ray Diffraction ◽  
X Ray ◽  
Π Interactions ◽  
Hydrogen Bonding Interactions ◽  
Vis Spectroscopy ◽  
Phenyl Rings ◽  
In Trans

AbstractBis(2-aminopyrimidine-N)diaquabis(saccharinato-O)copper(II) di(2-aminopyrimidine), [Cu(sac-O)2(ampym-N)2(H2O)2] · 2ampym was synthesized and characterized by means of elemental analysis, IR and UV-vis spectroscopy, magnetic susceptibility, simultaneous TG, DTG, DTA techniques, and X-ray diffraction. The complex crystallizes in the monoclinic space group P21/c [a = 7.4697(5), b = 10.1679(5), c = 22.743(2)Å , β = 92.844(5), Z = 2, R = 0.0275, wR= 0.0757, V = 1725.26(19) Å3]. The copper atom is bonded to two ampym N atoms and two sac O atoms as well as to two water O atoms in trans positions in the geometry of a distorted octahedron. There are also two ampym moieties as solvate molecules in the unit cell. The crystal structure is stabilized by N-H· · ·O, O-H· · ·N and C-H· · ·O type hydrogen bonding interactions. Intermolecular π−π interactions between the phenyl rings of ampym groups and C-H· · ·π interactions also support the packing of the molecules. The thermal decomposition of the complex has been studied.

Synthesis, crystal structure and characterization of a three-dimensional CdII coordination polymer constructed from 2,5-bis(1H-1,2,4-triazol-1-yl)terephthalate

2018 ◽  
Vol 74 (2) ◽  
pp. 166-170 ◽  
Author(s):  
Li Meng ◽  
Miao-Li Zhu ◽  
Li-Ping Lu
Keyword(s):  
Crystal Structure ◽  
Coordination Polymer ◽  
Three Dimensional ◽  
X Ray ◽  
Distorted Octahedral ◽  
Ft Ir ◽  
A Chain ◽  
Coordinated Water ◽  
Dimensional Crystal

Bifunctional organic ligands are very popular for the design of coordination polymers because they allow the formation of a great diversity of structures. In the title coordination polymer, the new bifunctional inversion-symmetric ligand 2,5-bis(1H-1,2,4-triazol-1-yl)terephthalic acid (abbreviated as H2bttpa) links CdII cations, giving rise to the three-dimensional CdII coordination polymer catena-poly[diaqua[μ4-2,5-bis(1H-1,2,4-triazol-1-yl)terephthalato-κ4 O 1:O 4:N 4:N 4′]cadmium(II)], [Cd(C12H6N6O4)(H2O)2] n or [Cd(bttpa)(H2O)2] n . The asymmetric unit consists of half a CdII cation, half a bttpa2− ligand and one coordinated water molecule. The CdII cation is located on a twofold axis and is hexacoordinated in a distorted octahedral environment of four O and two N atoms. Four different bttpa2− ligands contribute to this coordination, with two carboxylate O atoms in trans positions and two triazole N atoms in cis positions. Two aqua ligands in cis positions complete the coordination sphere. The fully deprotonated bttpa2− ligand sits about a crystallographic centre of inversion and links two CdII cations to form a chain in a μ2-terephthalato-κ2 O 1:O 4 bridge. This chain extends in the other two directions via the triazole heterocycles, producing a three-dimensional framework. O—H...O hydrogen bonds and weak C—H...N interactions stabilize the three-dimensional crystal structure. The FT–IR spectrum, X-ray powder pattern, thermogravimetric behaviour and solid-state photoluminescence of the title polymer have been investigated. The photoluminescence is enhanced and red-shifted with respect to the uncoordinated ligand.

scholarly journals Synthesis and X-Ray Crystal Structure of (1E)-1-(4-Chlorophenyl)-N-hydroxy-3-(1H-imidazol-1-yl)propan-1-imine

2013 ◽  
Vol 2013 ◽  
pp. 1-4 ◽  
Author(s):  
Mohamed I. Attia ◽  
Hazem A. Ghabbour ◽  
Maha S. Almutairi ◽  
Soraya W. Ghoneim ◽  
Hatem A. Abdel-Aziz ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Antifungal Agents ◽  
Synthesis And Characterization ◽  
Monoclinic Space Group ◽  
Space Group ◽  
X Ray ◽  
Hydrogen Bonding Interactions

Synthesis and characterization of (1E)-1-(4-chlorophenyl)-N-hydroxy-3-(1H-imidazol-1-yl)propan-1-imine (4) are reported. X-ray crystal structure of the title oxime4confirmed its assigned (E)-configuration. The compound crystallizes in the monoclinic space groupP21/cwitha=13.4292(3) Å,b=8.8343(2) Å,c=11.1797(3) Å,α=90°,β=108.873(2)°,γ=90°,V=1255.03(5) Å3, andZ=4. The molecules are packed in crystal structure by weak intermolecularO–H⋯Nhydrogen bonding interactions. Compound4is a useful intermediate for the synthesis of new imidazole-containing antifungal agents.

Crystal Structure Characterization of 4,4-diaminodiphenyl Sulfoxide

2013 ◽  
Vol 848 ◽  
pp. 195-198
Author(s):  
Zhi Xiang Ji
Keyword(s):  
Crystal Structure ◽  
Three Dimensional ◽  
Ethanol Solution ◽  
Structure Characterization ◽  
Monoclinic Space Group ◽  
Crystal Data ◽  
Single Crystal Diffraction ◽  
X Ray ◽  
Dimensional Network

The crystals of 4,4-diaminodiphenyl sulfoxide have been obtained by evaporation from ethanol solution. The crystal structure of the 4,4-diaminodiphenyl sulfoxide was determined by X-ray single crystal diffraction analysis. The crystal data for 4,4-diaminodiphenyl sulfoxide: monoclinic, space groupP2(1)/c,a= 49.068(10) Å,b= 11.439(2) Å,c= 13.103(3) Å,V= 7347(3) Å3,Z= 24,Mr= 248.30,De= 1.347 g/cm3,T= 298(2) K,F(000) = 3120,R= 0.0786 andwR =0.2653. The compound forms three-dimensional network structure through hydrogen bonds and π-π interaction.

scholarly journals Crystal and Molecular Structure of 7-Methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4[3H]one

2012 ◽  
Vol 9 (2) ◽  
pp. 525-531
Author(s):  
Mohamed Ziaulla ◽  
Afshan Banu ◽  
Shridhar I. Panchamukhi ◽  
Imtiyaz Ahmed M. Khazi ◽  
Noor Shahina Begum
Keyword(s):  
Molecular Structure ◽  
Crystal Structure ◽  
Crystal And Molecular Structure ◽  
Direct Method ◽  
Monoclinic Space Group ◽  
Space Group ◽  
X Ray ◽  
Π Interactions ◽  
R Factor

X-ray characterization of 7-methyl-5,6,7,8-tetrahydro[1]benzothieno [2,3-d]pyrimidin-4[3H]one is described. The compound crystallizes in the monoclinic space group P21/c with a=7.0013(2)Å, b=8.3116(3)Å, c=18.374(6)Å, β=91.746(2)°, V=1068.76(6)Å3, z=4. The structure was solved using the direct method and refined to reliability R-factor of 0.0639 using 3180 independent reflections The crystal structure is further stabilized by intermolecular C-H...N, N-H...N C-H...O, N-H...O, and π-π interactions.

scholarly journals Crystal structure of 2-benzylamino-4-p-tolyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile

2015 ◽  
Vol 71 (2) ◽  
pp. 192-194
Author(s):  
R. A. Nagalakshmi ◽  
J. Suresh ◽  
S. Maharani ◽  
R. Ranjith Kumar ◽  
P. L. Nilantha Lakshman
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Pyridine Ring ◽  
Three Dimensional ◽  
Π Interactions ◽  
Compound C ◽  
Centroid Distance ◽  
Cyclopentane Ring ◽  
Ring Motif

The title compound, C23H21N3, comprises a 2-amino-3-cyanopyridine ring fused with a cyclopentane ring. The later adopts an envelope conformation with the central methylene C atom as the flap. The benzyl and andp-tolyl rings are inclined to one another by 56.18 (15)°, and to the pyridine ring by 81.87 (14) and 47.60 (11)°, respectively. In the crystal, molecules are linked by pairs of N—H...Nnitrilehydrogen bonds, forming inversion dimers with anR22(12) ring motif. The dimers are linked by C—H...π and π–π interactions [centroid–centroid distance = 3.7211 (12) Å], forming a three-dimensional framework.

The Crystal Structure of KIO3.HIO3

1971 ◽  
Vol 49 (3) ◽  
pp. 468-476 ◽  
Author(s):  
Lilian Y. Y. Chan ◽  
F. W. B. Einstein
Keyword(s):  
Crystal Structure ◽  
Three Dimensional ◽  
Monoclinic Space Group ◽  
X Ray ◽  
R Factor ◽  
Octahedral Environment ◽  
Distorted Octahedral ◽  
Potassium Hydrogen ◽  
A Cell ◽  
Least Squares Techniques

The crystal structure of potassium hydrogen di-iodate (bi-iodate) KIO3.HIO3 was determined from three dimensional X-ray data collected by counter methods. The structure was refined by full-matrix least-squares techniques to a conventional R factor of 5.0 % for the 1392 observed reflexions. The salt crystallizes in the monoclinic space group P21/c with eight formula units in a cell of dimension a = 7.028(1) Å, b = 8.203(1) Å, c = 21.841(3) Å, β = 98.03(1)°.The iodate units are all basically pyramidal; weak interionic I—O contacts complete a very distorted octahedral environment around three iodine atoms. There is a capped octahedral (7-coordinate) environment around the remaining iodine atom. The I—O bonds are in the range 1.75–1.82 Å and the I—OH bonds are 1.91 and 1.95 Å, variations in length can be correlated with differences in the degree of involvement in (a) hydrogen bonding and (b) interaction with adjacent iodine atoms.

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