scholarly journals Crystal structure of (E,E)-2′,4′-dihydroxyacetophenone azine dimethylformamide disolvate

2016 ◽  
Vol 72 (4) ◽  
pp. 467-469
Author(s):  
Wen-Juan Li ◽  
Hong-Fei Han
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Hydroxy Group ◽  
Title Compound ◽  
Maximum Deviation ◽  
Solvent Molecules

In the title compound {systematic name: 4,4′-[1,1′-(hydrazinediylidene)bis(ethan-1-yl-1-ylidene)]bis(benzene-1,3-diol)}, C16H16N2O4·2C3H7NO, the (E,E)-2′,4′-dihydroxyacetophenone azine molecule is centrosymmetric, the mid-point of the N—N bond being located on an inversion centre. All the non-H atoms of the azine molecule are approximately coplanar, the maximum deviation being 0.017 (2) Å. An intramolecular O—H...N hydrogen bond occurs between the azine N atom and the hydroxy group. In the crystal, azine and dimethylformamide solvent molecules are linked by O—H...O hydrogen bonds.

scholarly journals 3-Acetyl-1-(3-methylphenyl)thiourea

2012 ◽  
Vol 68 (8) ◽  
pp. o2574-o2574 ◽  
Author(s):  
B. Thimme Gowda ◽  
Sabine Foro ◽  
Sharatha Kumar
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Title Compound ◽  
Side Chain ◽  
Maximum Deviation ◽  
Methyl Groups ◽  
Compound C ◽  
Ring Motif

In the crystal structure of the title compound, C10H12N2OS, the conformation of the two N—H bonds areantito each other. The amide C=O and the C=S are are alsoantito each other. The N—H bond adjacent to the benzene ring issynto them-methyl groups. The dihedral angle between the benzene ring and the side chain [mean plane of atoms C—C(O)N—C—N; maximum deviation 0.029 (2) Å] is 14.30 (7)°. There is an intramolecular N—H...O hydrogen bond generating anS(6) ring motif. In the crystal, the molecules are linkedviaN—H...) hydrogen bonds, forming chains propagating along [001]. The S atom is disordered and was refined using a split model [occupancy ratio 0.56 (4):0.44 (4)].

scholarly journals Crystal structure of 7-{[bis(pyridin-2-ylmethyl)amino]methyl}-5-chloroquinolin-8-ol

2015 ◽  
Vol 71 (12) ◽  
pp. 1545-1547
Author(s):  
Koji Kubono ◽  
Kimiko Kado ◽  
Yukiyasu Kashiwagi ◽  
Keita Tani ◽  
Kunihiko Yokoi
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Hydroxy Group ◽  
Title Compound ◽  
Dihedral Angles ◽  
Π Interactions ◽  
Compound C ◽  
Centroid Distance ◽  
Ring Motif

In the title compound, C22H19ClN4O, the quinolinol moiety is almost planar [r.m.s. deviation = 0.012 Å]. There is an intramolecular O—H...N hydrogen bond involving the hydroxy group and a pyridine N atom forming anS(9) ring motif. The dihedral angles between the planes of the quinolinol moiety and the pyridine rings are 44.15 (9) and 36.85 (9)°. In the crystal, molecules are linkedviaC—H...O hydrogen bonds forming inversion dimers with anR44(10) ring motif. The dimers are linked by C—H...N hydrogen bonds, forming ribbons along [01-1]. The ribbons are linked by C—H...π and π–π interactions [inter-centroid distance = 3.7109 (11) Å], forming layers parallel to (01-1).

scholarly journals Crystal structure of (4Z)-4-{[(2-chlorophenyl)amino](furan-2-yl)methylidene}-3-methyl-1-phenyl-4,5-dihydro-1H-pyrazol-5-one

2015 ◽  
Vol 71 (3) ◽  
pp. o177-o178
Author(s):  
Heng-Qiang Zhang ◽  
Xing Yang ◽  
Qiong Wu ◽  
Hong-Li Chen
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Maximum Deviation ◽  
Keto Form ◽  
Π Interactions ◽  
Compound C

In the title compound, C21H16ClN3O2, the pyrazolone ring and the O=C—C=C—N mean plane [maximum deviation = 0.022 (2) Å] are nearly coplanar, making a dihedral angle 4.56 (8)°, while the phenyl and pyrazole rings subtend a dihedral angle of 19.75 (8)°. The compound is in the enamine–keto form and its structure is stabilized by an intramolecular N—H...O hydrogen bond. In the crystal, molecules are linkedviaC—H...N hydrogen bonds, forming chains along [010]. Between the chains there are π–π interactions [inter-centroid distances = 3.3902 (9) and 3.5956 (11) Å], linking the chains to form sheets parallel to (10-1).

scholarly journals Crystal structure of 1-ferrocenyl-2-(4-methylbenzoyl)spiro[11H-pyrrolidizine-3,11′-indeno[1,2-b]quinoxaline]

2014 ◽  
Vol 70 (9) ◽  
pp. 124-126 ◽  
Author(s):  
Kuppan Chandralekha ◽  
Deivasigamani Gavaskar ◽  
Adukamparai Rajukrishnan Sureshbabu ◽  
Srinivasakannan Lakshmi
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Title Compound ◽  
Maximum Deviation ◽  
Π Interactions ◽  
Twist Conformation

In the title compound, [Fe(C5H5)(C34H28N3O)], the four-fused-rings system of the 11H-indeno[1,2-b]quinoxaline unit is approximately planar [maximum deviation = 0.167 (4) Å] and forms a dihedral angle of 37.25 (6)° with the plane of the benzene ring of the methylbenzoyl group. Both pyrrolidine rings adopt a twist conformation. An intramolecular C—H...O hydrogen bond is observed. In the crystal, molecules are linked by C—H...O hydrogen bonds and weak C—H...π interactions, forming double chains extending parallel to thecaxis.

scholarly journals Synthesis and crystal structure of decacarbonyl(μ3-3,7-dithianonane-1,9-dithiolato)bis(μ2-propane-1,3-dithiolato)nickel(II)tetrairon(II) dichloromethane disolvate

2018 ◽  
Vol 74 (3) ◽  
pp. 328-331
Author(s):  
Gan Ren ◽  
Ge Sang
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Active Site ◽  
Title Compound ◽  
Core Complex ◽  
Metal Core ◽  
Synthesis And Crystal Structure ◽  
Solvent Molecules

The title compound,, [Fe4Ni(C3H6S2)2(C7H14S4)(CO)10]·2CH2Cl2, is reported as a biomimic model for the active site of [FeFe]-hydrogenases. Bis(2-mercaptoethyl)-1,3-propanedithio ether nickel(II) was firstly introduced into [Fe2(C3H6S2)(CO)5] as an S-containing ligand. It coordinates with two [Fe2(C3H6S2)(CO)5] groups, and a five-metal core complex is formed. The Fe2S2core is in a butterfly conformation. The Fe—Fe distances in the [Fe2(C3H6S2)(CO)5] groups are 2.5126 (6) and 2.5086 (7) Å. The distances between the adjacent Fe and Ni atoms are 3.5322 (1) and 3.5143 (1) Å. There are intramolecular C—H...O and C—H...S contacts present in the complex. In the crystal, the five metal cores are linkedviaC—H...O hydrogen bonds, forming columns lying parallel to (110). The dichloromethane solvent molecules are each partially disordered over two positions and only one is linked to the five-metal core complex by a C—H...O hydrogen bond.

scholarly journals Crystal structure ofN-hydroxyquinoline-2-carboxamide monohydrate

2017 ◽  
Vol 73 (5) ◽  
pp. 795-797
Author(s):  
Inna S. Safyanova ◽  
Kateryna A. Ohui ◽  
Iryna V. Omelchenko ◽  
Svitlana V. Shyshkina
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Water Molecule ◽  
Title Compound ◽  
Tautomeric Form ◽  
Maximum Deviation ◽  
Aromatic Rings ◽  
Axis Direction ◽  
Compound C

The title compound, C10H8N2O2·H2O, consists of anN-hydroxyquinoline-2-carboxamide molecule in the keto tautomeric form and a water molecule connected through an O—H...O hydrogen bond. TheN-hydroxyquinoline-2-carboxamide molecule has a nearly planar structure [maximum deviation = 0.062 (1) Å] and only the hydroxy H atom deviates significantly from the molecule plane. In the crystal, π–π stacking between the aromatic rings [intercentroid distance = 3.887 (1) Å] and intermolecular O—H...O hydrogen bonds organize the crystal components into columns extending along theb-axis direction.

scholarly journals Crystal structure of methyl 2-[5-(2-hydroxyphenyl)-2H-tetrazol-2-yl]acetate

2017 ◽  
Vol 73 (12) ◽  
pp. 1971-1973 ◽  
Author(s):  
Seul Gi Lee ◽  
Ji Yeon Ryu ◽  
Junseong Lee
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Hydroxy Group ◽  
Title Compound ◽  
Methyl Acetate ◽  
Tetrazole Ring ◽  
Compound C ◽  
Phenol Ring

The title compound, C10H10N4O3, was synthesized by the esterification of hydroxyphenyl tetrazole. There is an intramolecular O—H...N hydrogen bond present involving the hydroxy group and the tetrazole ring. The tetrazole ring is inclined to the phenol ring by 2.85 (13)°, while the methyl acetate group is almost normal to the tetrazole ring, making a dihedral angle of 82.61 (14)°. In the crystal, molecules are linked by pairs of C—H...O hydrogen bonds, forming inversion dimers. Within the dimers, the phenol rings are linked by offset π–π interactions [intercentroid distance = 3.759 (2) Å]. There are no further significant intermolecular interactions present in the crystal. The hydroxy group is disordered about positions 2 and 6 on the benzene ring, with a refined occupancy ratio of 0.531 (5):0.469 (5).

scholarly journals Crystal structure of 2-(2,4-dichlorophenyl)-4-hydroxy-9-phenylsulfonyl-9H-carbazole-3-carbaldehyde

2014 ◽  
Vol 70 (12) ◽  
pp. 466-468 ◽  
Author(s):  
M. Umadevi ◽  
B. M. Ramalingam ◽  
R. Yamuna ◽  
A. K. Mohanakrishnan ◽  
G. Chakkaravarthi
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Hydroxy Group ◽  
Title Compound ◽  
Ring System ◽  
Compound C ◽  
The Mean ◽  
Graph Set

In the title compound, C25H15Cl2NO4S, the dichlorophenyl ring is twisted by 68.69 (11)° from the mean plane of the carbazole ring system [r.m.s. deviation = 0.084 (2)°]. The hydroxy group is involved in an intramolecular O—H...O hydrogen bond, which generates anS(6) graph-set motif. In the crystal, pairs of C—H...Cl hydrogen bonds link molecules into inversion dimers with anR22(26) motif. Weak C—H...O interactions further link these dimers into ribbons propagating in [100].

scholarly journals Crystal structure ofN′-[(1E)-1-(6-methyl-2,4-dioxo-3,4-dihydro-2H-pyran-3-ylidene)ethyl]benzenesulfonohydrazide

2014 ◽  
Vol 70 (11) ◽  
pp. o1179-o1180
Author(s):  
Jonnie N. Asegbeloyin ◽  
Oguejiofo T. Ujam ◽  
Chizoba M. Ngige ◽  
Valentine I. Onwukeme ◽  
Tania Groutso
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Tautomeric Form ◽  
Maximum Deviation ◽  
Compound C ◽  
Hydrazone Fragment

In the title compound, C14H14N2O5S, the molecule exists in the enamine (C=C—NH) tautomeric form. The hydrazone fragment derived from the 3-acetyl-4-hydroxy-6-methyl-2H-pyran-2-one moiety is approximately planar, with a maximum deviation of 0.1291 (11) Å for the N atom bound to the S atom of the benzensulfonohydrazide group. The latter adopts agaucheconformation relative to the hydrazone N—N bond, with an N—N—S angle of 113.54 (10)°. There is an intramolecular N—H...O=C hydrogen bond that stabilizes the tautomeric form. In the crystal, molecules are linked by N—H...O=C hydrogen bonds into chains extending parallel to [100].

scholarly journals (5,7-Dimethyl-2-oxo-2H-chromen-4-yl)methyl diethyldithiocarbamate

2012 ◽  
Vol 68 (6) ◽  
pp. o1657-o1657 ◽  
Author(s):  
K. Mahesh Kumar ◽  
H. C. Devarajegowda ◽  
S Jeyaseelan ◽  
N. M. Mahabaleshwaraiah ◽  
O. Kotresh
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Ring System ◽  
Maximum Deviation ◽  
Compound C ◽  
Centroid Distance ◽  
The Mean ◽  
Coumarin Ring

In the title compound, C17H21NO2S2, the coumarin ring system is nearly planar, with a maximum deviation of 0.080 (2) Å from the mean plane. An intramolecular C—H...S hydrogen bond occurs. The crystal structure features C—H...S hydrogen bonds and weak π–π interactions with a centroid–centroid distance of 3.679 (1) Å.

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