scholarly journals Crystal structure of ethylenedioxytetrathiafulvalene-4,5-bis(thiolbenzoic acid) 0.25-hydrate

2017 ◽  
Vol 73 (9) ◽  
pp. 1275-1278 ◽  
Author(s):  
Yuanyuan Zhang ◽  
Qiqian He ◽  
Huijie Bao ◽  
Lejia Wang ◽  
Xunwen Xiao
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Benzoic Acid ◽  
Title Compound ◽  
Chain Structure ◽  
Dihedral Angles ◽  
Boat Conformation ◽  
A Chain ◽  
Short Contacts

In the title compound (systematic name: 4,4′-{[2-(5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dioxin-2-ylidene)-1,3-dithiole-4,5-diyl]bis(sulfanediyl)}dibenzoic acid 0.25-hydrate), C22H14O6S6·0.25H2O, the tetrathiafulvalene (TTF) core adopts a boat conformation, where the central S2C=CS2plane makes dihedral angles of 31.34 (4) and 26.83 (6)°, respectively, with the peripheral S2C=CS2and S2C2O2planes. In the crystal, the benzoic acid molecules are linkedviaO—H...O hydrogen bonds, forming inversion dimers withR22(8) motifs. The dimers are linked through weak C—H...O hydrogen bonds into a chain structure along [-101]. The chains stack along theaaxis through S...S and S...C short contacts, forming layers parallel to theacplane.

scholarly journals Crystal structure of (E)-4-{2-[4-(allyloxy)phenyl]diazenyl}benzoic acid

2014 ◽  
Vol 70 (12) ◽  
pp. 499-502
Author(s):  
Md. Lutfor Rahman ◽  
Mashitah Mohd. Yusoff ◽  
Jamil Ismail ◽  
Huey Chong Kwong ◽  
Ching Kheng Quah
Keyword(s):  
Crystal Structure ◽  
Carboxylic Acid ◽  
Hydrogen Bonds ◽  
Benzoic Acid ◽  
Title Compound ◽  
Acid Group ◽  
Dihedral Angles ◽  
Carboxylic Acid Group ◽  
Compound C ◽  
Benzene Rings

The title compound, C16H14N2O3, has anEconformation about the azobenzene [—N=N– = 1.2481 (16) Å] linkage. The benzene rings are almost coplanar [dihedral angle = 1.36 (7)°]. The O atoms of the carboxylic acid group are disordered over two sets of sites and were refined with an occupancy ratio of 0.5:0.5. The two disordered components of the carboxylic acid group make dihedral angles of 1.5 (14) and 3.8 (12)° with the benzene ring to which they are attached. In the crystal, molecules are linkedviapairs of O—H...O hydrogen bonds, forming inversion dimers. The dimers are connectedviaC—H...O hydrogen bonds, forming ribbons lying parallel to [120]. These ribbons are linkedviaC—H...π interactions, forming slabs parallel to (001).

scholarly journals Crystal structure of bis(μ-2,3,4,5-tetrafluorobenzoato-κ2O:O′)bis[(1,10-phenanthroline-κ2N:N′)(2,3,4,5-tetrafluorobenzoato-κO)copper(II)] dihydrate

2014 ◽  
Vol 70 (11) ◽  
pp. m365-m366 ◽  
Author(s):  
Junshan Sun
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Chain Structure ◽  
Water Molecules ◽  
Molecular Configuration ◽  
Centrosymmetric Dimer ◽  
Lattice Water ◽  
Phenanthroline Ligand ◽  
A Chain

In the title compound, [Cu2(C7HF4O2)4(C12H8N2)2]·2H2O, the CuIIion has a square-pyramidal coordination sphere. The basal plane consists of two N atoms [Cu—N = 2.008 (3) and 2.032 (3) Å] from the phenanthroline ligand, and of two carboxylate O atoms [Cu—O = 1.942 (3) and 1.948 (3) Å] from two 2,3,4,5-tetrafluorobenzoate anions. Another 2,3,4,5-tetrafluorobenzoate anion provides the apical carboxylate O atom [Cu—O = 2.262 (3) Å] and bridges two CuIIions into a binuclear centrosymmetric dimer. Intramolecular π–π interactions between one of the tetrafluorobenzene rings and the middle of the phenenanthroline rings [3.617 (3) Å] stabilize the molecular configuration. O—H...O hydrogen bonds between the lattice water molecules and the unbound carboxylate O atoms of the metal complexes leads to the formation of a chain structure parallel to [100].

scholarly journals Crystal structure and Hirshfeld analysis of 2-[bis(1-methyl-1H-indol-3-yl)methyl]benzoic acid

2018 ◽  
Vol 74 (11) ◽  
pp. 1580-1583
Author(s):  
Suhaila Sapari ◽  
Sheryn Wong ◽  
Mohammad Fadzlee Ngatiman ◽  
Huda Misral ◽  
Siti Aishah Hasbullah
Keyword(s):  
Crystal Structure ◽  
Carboxylic Acid ◽  
Hydrogen Bonds ◽  
Benzoic Acid ◽  
Title Compound ◽  
Hirshfeld Surface ◽  
Dihedral Angles ◽  
Acid Moiety ◽  
Compound C ◽  
Hirshfeld Analysis

In the title compound, C26H22N2O2, the dihedral angles between the 1-methylindole units (A and B) and the benzoic acid moiety (C) are A/B = 64.87 (7), A/C = 80.92 (8) and B/C = 75.05 (8)°. An intramolecular C—H...O interaction arising from the methyne group helps to establish the conformation. In the crystal, R 2 2(8) carboxylic acid inversion dimers linked by pairs of O—H...O hydrogen bonds are observed. A Hirshfeld surface analysis shows that the greatest contributions are from H...H, C...H/H...C and O...H/H...O contacts (percentage values = 54.6%, 29.6% and 10.1%, respectively).

scholarly journals Crystal structure ofN′-[(E)-(4-chlorophenyl)(phenyl)methylidene]-4-methylbenzenesulfonohydrazide

2015 ◽  
Vol 71 (1) ◽  
pp. o45-o46
Author(s):  
J. Balaji ◽  
S. Prabu ◽  
J. J. F. Xavier ◽  
P. Srinivasan
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Condensation Reaction ◽  
Chain Structure ◽  
Dihedral Angles ◽  
Compound C ◽  
Chlorine Substituent ◽  
Graph Set ◽  
A Chain

The title compound, C20H17ClN2O2S, was obtained by a condensation reaction between 4-chlorobenzophenone and tosyl hydrazide. The plane of the methyl-substituted benzene ring forms dihedral angles of 20.12 (12) and 78.43 (13)° with those of the chlorine-substituted benzene ring and the benzene ring, respectively, with the last two rings forming a dihedral angle of 67.81 (13)°. The chlorine substituent was also found to be 0.868 (2):0.132 (2) disordered over these two rings. In the crystal, molecules are linked through pairs of N—H...O hydrogen bonds, giving centrosymmetric cyclic dimers [graph setR22(8)], which are linked by weak C—H...O and C—H...Cl interactions into a chain structure which extends along thea-axis direction.

scholarly journals Crystal structure of 3-chloro-N-(2-nitrophenyl)benzamide

2015 ◽  
Vol 71 (9) ◽  
pp. o674-o674
Author(s):  
Rodolfo Moreno-Fuquen ◽  
Alexis Azcárate ◽  
Alan R. Kennedy
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Dihedral Angles ◽  
Compound C ◽  
Benzene Rings ◽  
The Mean ◽  
Amide Fragment ◽  
Short Contacts

In the title compound, C13H9ClN2O3, the mean plane of the central amide fragment (r.m.s. deviation = 0.016 Å) subtends dihedral angles of 15.2 (2) and 8.2 (2)° with the chloro- and nitro-substituted benzene rings, respectively. An intramolecular N—H...O hydrogen bond generates anS(6) ring. In the crystal, molecules are linked by weak C—H...O hydrogen bonds, formingC(7) chains which propagate along [010], but no Cl...Cl short contacts are observed.

scholarly journals Crystal structure ofN′-[(E)-(1S,3R)-(3-isopropyl-1-methyl-2-oxocyclopentyl)methylidene]-4-methylbenzenesulfonohydrazide

2015 ◽  
Vol 71 (12) ◽  
pp. o904-o905 ◽  
Author(s):  
David Tymann ◽  
Dina Christina Dragon ◽  
Christopher Golz ◽  
Hans Preut ◽  
Carsten Strohmann ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Aromatic Ring ◽  
Title Compound ◽  
Membered Ring ◽  
Dihedral Angles ◽  
Relative Configuration ◽  
Bond Angles ◽  
Compound C ◽  
A Chain

The title compound, C17H24N2O3S, was synthesized in order to determine the relative configuration of the corresponding β-keto aldehyde. In the U-shaped molecule, the five-membered ring approximates an envelope, with the methylene C atom adjacent to the quaternary C atom being the flap, and the methyl and isopropyl substituents lying to the same side of the ring. The dihedral angles between the four nearly coplanar atoms of the five-membered ring and the flap and the aromatic ring are 35.74 (15) and 55.72 (9)°, respectively. The bond angles around the S atom are in the range from 103.26 (12) to 120.65 (14)°. In the crystal, molecules are linkedviaN—H...O hydrogen bonds, forming a chain along theaaxis.

scholarly journals Crystal structure of 10-benzyl-9-(3,4-dimethoxyphenyl)-3,3,6,6-tetramethyl-3,4,6,7,9,10-hexahydroacridine-1,8(2H,5H)-dione

2015 ◽  
Vol 71 (9) ◽  
pp. o688-o689 ◽  
Author(s):  
N. Sureshbabu ◽  
V. Sughanya
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
The Other ◽  
Dihedral Angles ◽  
Boat Conformation ◽  
Compound C ◽  
The Mean ◽  
Dihydropyridine Ring

In the acridinedione moiety of the title compound, C32H37NO4, the central dihydropyridine ring adopts a flattened-boat conformation, with the N atom and the methine C atom displaced from the mean plane of the other four atoms by 0.0513 (14) and 0.1828 (18) Å, respectively. The two cyclohexenone rings adopt envelope conformations, with the tetrasubsituted C atoms as the flap atoms. The 3,4-dimethoxybenzene and benzyl rings are almost normal to the dihydropyridine mean plane, with dihedral angles of 89.47 (9) and 82.90 (11)°, respectively. In the crystal, molecules are linkedviaa pair of C—H...O hydrogen bonds, forming inversion dimers, which are, in turn, linked by C—H...O hydrogen bonds, forming slabs lying parallel to (001).

scholarly journals Crystal structure of 10a-hydroxy-9-(3-nitrophenyl)-3,6-diphenyl-3,4,5,6,7,8a,9,10a-octahydro-1H-xanthene-1,8(2H)-dione

2015 ◽  
Vol 71 (12) ◽  
pp. 1510-1512
Author(s):  
Xin-Yuan Zhang ◽  
Bing-Xiang Hu ◽  
Ze-Yu Zhou ◽  
Lei Zhou ◽  
Fang-Ming Wang
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Chair Conformation ◽  
Dihedral Angles ◽  
Boat Conformation ◽  
Axis Direction ◽  
Compound C ◽  
Benzene Rings ◽  
Supramolecular Chains

In the octahydroxanthenedione unit of the title compound, C31H27NO6, the central dihydropyran ring shows an envelope conformation, while the bilateral cyclohexene and cyclohexane rings adopt a half-boat conformation and a chair conformation, respectively. The nitrobenzene ring is twisted with respect to the two benzene rings, making dihedral angles of 63.1 (1) and 63.0 (1)°. In the crystal, O—H...O hydrogen bonds link the molecules into supramolecular chains propagating along thea-axis direction.

scholarly journals Crystal structure of (E)-N′-{[(1R,3R)-3-isopropyl-1-methyl-2-oxocyclopentyl]methylidene}-4-methylbenzenesulfonohydrazide

2015 ◽  
Vol 71 (2) ◽  
pp. o99-o100 ◽  
Author(s):  
David Tymann ◽  
Dina Christina Dragon ◽  
Christopher Golz ◽  
Hans Preut ◽  
Carsten Strohmann ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Aromatic Ring ◽  
Title Compound ◽  
Membered Ring ◽  
Dihedral Angles ◽  
Relative Configuration ◽  
Axis Direction ◽  
Compound C ◽  
A Chain

The title compound, C17H24N2O3S, was synthesized in order to determine the relative configuration of the corresponding β-keto aldehyde. In the U-shaped molecule, the five-membered ring approximates an envelope with the methylene atom adjacent to the quaternary C atom being the flap. The dihedral angles between the four nearly coplanar atoms of the five-membered ring and the flap and the aromatic ring are 38.8 (4) and 22.9 (2)°, respectively. The bond angles around the S atom are in the range 104.11 (16)–119.95 (16)°. In the crystal, molecules are linkedviaN—H...O by hydrogen bonds, forming a chain along thea-axis direction.

scholarly journals Tris(phenyl 2-pyridyl ketone oxime-κ2N,N′)cadmium(II) dinitrate

2009 ◽  
Vol 65 (6) ◽  
pp. m641-m641 ◽  
Author(s):  
Juan Yan ◽  
Guang-Xiang Liu
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Supramolecular Structure ◽  
Three Dimensional ◽  
Chain Structure ◽  
Octahedral Geometry ◽  
Distorted Octahedral Geometry ◽  
Distorted Octahedral ◽  
A Chain

The Cd atom in the title compound, [Cd(C12H10N2O)3](NO3)2, adopts a distorted octahedral geometry, being ligated by six N atoms from three different phenyl-2-pyridyl ketone oxime ligands. In the crystal structure, intermolecular O—H...O and C—H...O hydrogen bonds link the molecules into a chain structure propagating along [100]. The chains are further linked into a three-dimensional supramolecular structureviavan der Waals forces.

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