scholarly journals Hydrido(prolinato-κ2N,O)tris(trimethylphosphane-κP)iridium(III) hexafluoridophosphate

2014 ◽  
Vol 70 (2) ◽  
pp. m73-m74
Author(s):  
Joseph S. Merola ◽  
Christopher P. Roy
Keyword(s):  
Hydrogen Bonds ◽  
Title Complex ◽  
Methyl Groups ◽  
Asymmetric Unit ◽  
Bidentate Coordination ◽  
Axis Direction ◽  
Extended Chain ◽  
Hydride Ligand

The title complex, [Ir(C5H8NO2)H(C3H9P)3]PF6, has two independent anion–cation pairs in the asymmetric unit. The geometry about each IrIIIatom is pseudo-octahedral with a meridional arrangement of the P(CH3)3ligands,N,O-bidentate coordination of prolinate and a hydride ligandtransto the prolinate N atom. The independent IrIIImoieties are joined by N—H...O hydrogen bonds and the N—H...O bonding motif continues throughout the structure, creating an extended chain parallel to thec-axis direction. The methyl groups of one P(CH3)3ligand are rotationally disordered over two sets of sites in a 0.62 (2):0.38 (2) ratio.

scholarly journals Crystal structure of bis(2-{1-[(E)-(4-fluorobenzyl)imino]ethyl}phenolato-κ2N,O)palladium(II)

2015 ◽  
Vol 71 (4) ◽  
pp. 350-353
Author(s):  
Amalina Mohd Tajuddin ◽  
Hadariah Bahron ◽  
Hamizah Mohd Zaki ◽  
Karimah Kassim ◽  
Suchada Chantrapromma
Keyword(s):  
Crystal Structure ◽  
Schiff Base ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Complex ◽  
Asymmetric Unit ◽  
Schiff Base Ligands ◽  
Bond Lengths ◽  
Square Planar ◽  
Coordination Plane

The asymmetric unit of the title complex, [Pd(C15H13FNO)2], contains one half of the molecule with the PdIIcation lying on an inversion centre and is coordinated by the bidentate Schiff base anion. The geometry around the cationic PdIIcentre is distorted square planar, chelated by the imine N- and phenolate O-donor atoms of the two Schiff base ligands. The N- and O-donor atoms of the two ligands are mutuallytrans, with Pd—N and Pd—O bond lengths of 2.028 (2) and 1.9770 (18) Å, respectively. The fluorophenyl ring is tilted away from the coordination plane and makes a dihedral angle of 66.2 (2)° with the phenolate ring. In the crystal, molecules are linked into chains along the [101] direction by weak C—H...O hydrogen bonds. Weak π–π interactions with centroid–centroid distances of 4.079 (2) Å stack the molecules alongc.

scholarly journals Crystal structure of tetraethyl 27,30-dioxo-7,12,20,25-tetra-tert-butyl-3,16-dioxa-9,22,28,31-tetrathiaheptacyclo[21.3.1.11,5.14,8.110,14.114,18.117,21]dotriaconta-4,6,8(29),10,12,17,19,21(32),23,25-decaene-2,2,15,15-tetracarboxylate

2015 ◽  
Vol 71 (10) ◽  
pp. o778-o779
Author(s):  
Mehmet Akkurt ◽  
Jerry P. Jasinski ◽  
Shaaban K. Mohamed ◽  
Omran A. Omran ◽  
Mustafa R. Albayati
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Membered Ring ◽  
Asymmetric Unit ◽  
Axis Direction ◽  
Tert Butyl ◽  
Envelope Conformation ◽  
Compound C ◽  
A Chain

The asymmetric unit of the title compound, C54H64O12S4, consists of one half of the molecule, which is located on an inversion centre. The heterocyclic six-membered ring adopts a distorted envelope conformation with the spiro C atom as the flap. In the crystal, molecules are linked by weak C—H...O hydrogen bonds with anR22(14) motif, forming a chain along theb-axis direction.

scholarly journals Crystal structure of dibromidotetrakis(propan-2-ol-κO)nickel(II)

2015 ◽  
Vol 71 (12) ◽  
pp. m263-m264
Author(s):  
Yaokang Lv ◽  
Mingxian Liu ◽  
Lvlv Ji ◽  
Cheng Zhang ◽  
Mi Ouyang
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Van Der Waals ◽  
Van Der Waals Forces ◽  
Title Complex ◽  
Asymmetric Unit ◽  
Hexagonal Packing

The asymmetric unit of the mononuclear title complex, [NiBr2(C3H8O)4], comprises a NiIIcation located on a centre of inversion, one Br−anion and two propan-2-ol ligands. The NiIIcation exhibits a distortedtrans-Br2O4environment. There are O—H...Br hydrogen bonds connecting neighbouring molecules into rows along [100]. These rows are arranged in a distorted hexagonal packing and are held together by van der Waals forces only.

scholarly journals N-Methyl-2-(1,2,3,4-tetrahydronaphthalen-1-ylidene)hydrazinecarbothioamide

2014 ◽  
Vol 70 (3) ◽  
pp. o301-o302 ◽  
Author(s):  
Adriano Bof de Oliveira ◽  
Bárbara Regina Santos Feitosa ◽  
Christian Näther ◽  
Inke Jess
Keyword(s):  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Title Compound ◽  
Crystal Packing ◽  
Dihedral Angles ◽  
Independent Molecule ◽  
Asymmetric Unit ◽  
Axis Direction ◽  
Compound C ◽  
Independent Molecules

There are two independent molecules in the asymmetric unit of the title compound, C12H15N3S, both of which display disorder of several C atoms in the N-bound ring (occupancy ratios of 0.75:0.25 in the first independent molecule and 0.50:0.50 in the second) with the methyl H atoms also being disordered in the first molecule (occupancy ratio of 0.70:0.30). The planes of the benzene ring and the N—N—C—N fragment make dihedral angles of 12.92 (14)° in the first independent molecule and 7.60 (13)° in the second. In the crystal, molecules are linked by weak N—H...S hydrogen bonds into chains along thea-axis direction. The crystal packing ressembles a herringbone arrangement.

scholarly journals 1-(4-tert-Butylbenzyl)pyrimidine-2,4(1H,3H)-dione

2012 ◽  
Vol 68 (4) ◽  
pp. o1047-o1047
Author(s):  
Hong-Sheng Wang ◽  
Gong-Chun Li
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Dihedral Angles ◽  
Methyl Groups ◽  
Asymmetric Unit ◽  
Compound C ◽  
Independent Molecules

The asymmetric unit of the title compound, C15H18N2O2, contains two independent molecules with essentially identical geometries and conformations. The dihedral angles between the benzene and pyrimidine rings in the two molecules are 89.96 (11) and 73.91 (11)°. The six methyl groups are disordered over two sets of sites, with site occupancies of 0.545 (4):0.455 (4) and 0.542 (7):0.458 (7) in the two molecules. The crystal structure is stabilized by N—H...O hydrogen bonds.

scholarly journals 1-(4-Bromobenzyl)-2-(4-bromophenyl)-1H-benzimidazole

2014 ◽  
Vol 70 (5) ◽  
pp. o610-o611
Author(s):  
Hua-Jun Ma ◽  
Zhi-Rong Qu
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Dihedral Angles ◽  
Asymmetric Unit ◽  
Axis Direction ◽  
Compound C ◽  
The Mean ◽  
Benzimidazole Group

There are two molecules in the asymmetric unit of the title compound, C20H14Br2N2. In the first, the dihedral angles between the mean plane of the benzimidazole group and those of the 4-bromobenzyl and 4-chlorophenyl groups are 50.72 (17) and 71.29 (16)°, respectively, while the corresponding angles in the second molecule are 42.09 (16) and 89.05 (17)°. The 4-bromobenzyl and 4-bromophenyl groups make an angle of 68.1 (2) and 85.1 (21)° with each other in the two molecules. In the crystal, weak C—H...N and C—H...Br hydrogen bonds link the molecules along thec-axis direction. Br...Br interactions [3.5733 (9)Å] are also observed.

scholarly journals Crystal structure of ethyl 2-[(4-bromophenyl)amino]-3,4-dimethylpent-3-enoate

2014 ◽  
Vol 70 (10) ◽  
pp. o1122-o1123
Author(s):  
Julio Zukerman-Schpector ◽  
I. Caracelli ◽  
Hélio A. Stefani ◽  
Amna N. Khan ◽  
Edward R. T. Tiekink
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Crystal Packing ◽  
Dihedral Angles ◽  
Methyl Groups ◽  
Asymmetric Unit ◽  
Compound C ◽  
Independent Molecules

In the title compound, C15H20BrNO2, there are two independent molecules (AandB) comprising the asymmetric unit and these adopt very similar conformations. InA, the dihedral angle between the CO2and MeC=CMe2groups is 80.7 (3)°, and these make dihedral angles of 3.5 (3) and 84.09 (16)°, respectively, with the bromobenzene ring. The equivalent dihedral angles for moleculeBare 78.4 (3), 2.1 (3) and 78.37 (12)°, respectively. The most prominent interactions in the crystal packing are amine-N—H...O(carbonyl) hydrogen bonds between the two independent molecules, resulting in non-centrosymmetric ten-membered {...OC2NH}2synthons. Statistical disorder is noted for each of the terminal methyl groups of the ethyl residues.

scholarly journals (1S,2R,8R)-11-Amino-2,2-dichloro-3,7,7,10-tetramethyltricyclo[6.4.0.01,3]dodec-10-en-9-one

IUCrData ◽  
2017 ◽  
Vol 2 (2) ◽  
Author(s):  
Mustapha Ait Elhad ◽  
Ahmed Benharref ◽  
Lahcen El Ammari ◽  
Mohamed Saadi ◽  
Abdelouahd Oukhrib ◽  
...  
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Membered Ring ◽  
Monoclinic Space Group ◽  
Boat Conformation ◽  
Asymmetric Unit ◽  
Space Group ◽  
Axis Direction ◽  
Compound C ◽  
Independent Molecules

The title compound, C16H23Cl2NO, crystallizes in the monoclinic space groupP21with two independent molecules (AandB) in the asymmetric unit. They have essentially the same conformation. Each molecule is built up from fused six- and seven-membered rings and an additional three-membered ring. The six-membered ring has an envelope conformation, with the C atom belonging to the three-membered ring forming the flap, while the seven-membered ring displays a boat conformation. In the crystal, molecules are linked into chains propagating along thea-axis direction by N—H...O hydrogen bonds.

scholarly journals [1,2-Bis(diphenylphosphanyl)ethane-κ2 P,P]chlorido(isonicotinamide-κN)palladium(II) nitrate acetonitrile monosolvate

IUCrData ◽  
2021 ◽  
Vol 6 (11) ◽  
Author(s):  
Rafael A. Adrian ◽  
Bradley J. Lagemann ◽  
Hadi D. Arman
Keyword(s):  
Hydrogen Bonds ◽  
Coordination Sphere ◽  
Crystal Packing ◽  
Central Atom ◽  
Title Complex ◽  
Pyridyl Ring ◽  
Asymmetric Unit ◽  
Nitrate Ions ◽  
Square Planar ◽  
Chloride Ligand

The PdII central atom in the title complex, [PdCl(C26H24P2)(C6H6N2O)]NO3·CH3CN or [PdCl(dppe)(INAM)]NO3·CH3CN, where dppe is 1,2-bis(diphenylphosphanyl)ethane and INAM is isonicotinamide, exists in a slightly distorted square-planar environment defined by the two P atoms of the dppe ligand, a chloride ligand and the N atom of the isonicotinamide pyridyl ring. The crystal packing in the structure is held together by hydrogen bonds between the amide of the INAM ligand and the nitrate ions that complete the outer coordination sphere. A molecule of acetonitrile is also found in the asymmetric unit of the title complex.

scholarly journals The crystal structure of 1-(2-hydroxy-5-methoxyphenyl)ethanone 4,4-dimethylthiosemicarbazone

2015 ◽  
Vol 71 (11) ◽  
pp. o811-o812
Author(s):  
Brian J. Anderson ◽  
Michael B. Freedman ◽  
Victoria A. Smolenski ◽  
Jerry P. Jasinski
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Hydrogen Bonds ◽  
Methyl Groups ◽  
Asymmetric Unit ◽  
Compound C ◽  
Thioamide Group ◽  
The Mean ◽  
Independent Molecules ◽  
The Individual

The asymmetric unit of the title compound, C12H17N3O2S, contains two independent molecules,AandB. Both molecules are nearly planar with the dihedral angle between the mean planes of the thioamide group and benzene ring being 7.5 (1)° inAand 4.3 (2)° inB. In each molecule, the hydroxy group participates in intramolecular O—H...N hydrogen bonding, while the amino H atom is not involved in hydrogen bonding because of the steric hinderence caused by two neighboring methyl groups. In the crystal, the individual molecules are linked by weak C—H...O hydrogen bonds, formingA–AandB–Binversion dimers. The dimers are linkedviaC—H...π interactions which help stabilize the packing.

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