(2-Methyldithiobenzoato-κS)(triphenylphosphine-κO)gold(I)

2006 ◽  
Vol 62 (4) ◽  
pp. m889-m890 ◽  
Author(s):  
Jennifer S. Macalindong ◽  
Frank R. Fronczek ◽  
Judith A. Schuerman ◽  
Joel Selbin ◽  
Steven F. Watkins
Keyword(s):  
Title Compound ◽  
Asymmetric Unit ◽  
Gold Complexes ◽  
Torsion Angles ◽  
Bond Angles ◽  
Bond Lengths

The asymmetric unit of the title compound, o-CH3(C6H4)C(S)S–Au–P(C6H5)3 or [Au(C8H7S2)(C18H15P)], consists of two quasi-linear gold complexes. The S—Au—P bond angles [173.83 (2), 175.03 (2)°], S—Au bond lengths [2.3240 (6), 2.3329 (6) Å] and Au—P bond lengths [2.2568 (6), 2.2632 (6) Å] are consistent with previously reported values. The major difference in the two molecules is that the o-methylphenyl rings are twisted with respect to the dithiocarboxyl planes by 73.0 (3)° and 46.6 (3)°, as measured by S—C—C—C torsion angles.

scholarly journals Crystal structure of bis(N-methyl-N-phenylamino)trisulfane

2015 ◽  
Vol 71 (7) ◽  
pp. 836-839 ◽  
Author(s):  
George Barany ◽  
Matthew J. Henley ◽  
Lauren A. Polski ◽  
Alayne L. Schroll ◽  
Victor G. Young
Keyword(s):  
Crystal Structure ◽  
Title Compound ◽  
The Other ◽  
Asymmetric Unit ◽  
Torsion Angles ◽  
Bond Lengths ◽  
The Core ◽  
Compound C ◽  
Phenyl Rings ◽  
Independent Molecules

The title compound, C14H16N2S3, crystallized with two independent molecules [(1a) and (1b)] in the asymmetric unit. Both molecules display a pseudo-transconformation. The two consecutive S—S bond lengths of the trisulfane unit of molecule (1a) are 2.06 (3) and 2.08 (3) Å, and 2.08 (3) and 2.07 (2) Å for molecule (1b). Torsion angles about each of the two S—S bonds are 86.6 (2) and 87.0 (2)° for (1a), and −84.6 (2) and −85.9 (2)° for (1b). The core atoms,viz.the N—S—S—S—N moiety, of the two molecules superimpose well if one is inverted on the other, but the phenyl groups do not. Thus, the two units are essentially conformational enantiomers. In molecule (1a), the two phenyl rings are inclined to one another by 86.7 (3)°, and in molecule (1b), by 81.1 (3)°. In the crystal, molecules are linkedviaC—H...π interactions, forming sheets lying parallel to (010).

scholarly journals Crystal structure of {(R)-N2-[(benzo[h]quinolin-2-yl)methyl]-N2′-[(benzo[h]quinolin-2-yl)methylidene]-1,1′-binaphthyl-2,2′-diamine-κ4N,N′,N′′,N′′′}(trifluoromethanesulfonato-κO)zinc(II)} trifluoromethanesulfonate dichloromethane 1.5-solvate

2017 ◽  
Vol 73 (7) ◽  
pp. 949-953
Author(s):  
Shayna R. Skokan ◽  
Monica M. Reeson ◽  
Kayode D. Oshin ◽  
Anastasiya I. Vinokur ◽  
John A. Desper ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Metal Atom ◽  
Title Compound ◽  
Asymmetric Unit ◽  
Torsion Angles ◽  
Positional Disorder ◽  
Bond Lengths ◽  
Pyramidal Geometry ◽  
Imine Bond ◽  
Square Pyramidal Geometry

The zinc(II) atom in the title compound, [Zn(C48H31N4)(CF3SO3)](CF3SO3)·1.5CH2Cl2, adopts a distorted five-coordinate square-pyramidal geometry. It is coordinated by one trifluoromethanesulfonate ligand and four N atoms of theN2-[(benzo[h]quinolin-2-yl)methyl]-N2′-[(benzo[h]quinolin-2-yl)methylidene]-1,1′-binaphthyl-2,2′-diamine ligand. The complex is present as a single-strandedP-helimer monohelical structure incorporating π–π and/or σ–π interactions. One of the imine bonds present in the original ligand framework is reduced, leading to variations in bond lengths and torsion angles for each side of the ligand motif. The imine-bond reduction also affects the bond lengths involving the metal atom with the N-donor atoms located on the imine bond. There are two molecules of the complex in the asymmetric unit. One of the molecules exhibits positional disorder within the coordinating trifluoromethanesulfonate ion making the molecules symmetrically non-equivalent.

scholarly journals (S)-2-[(4-Fluorophenyl)formamido]-3-phenylpropanoic acid

IUCrData ◽  
2020 ◽  
Vol 5 (7) ◽  
Author(s):  
Kathleen S. Lee ◽  
Luke Turner ◽  
Cynthia B. Powell ◽  
Eric W. Reinheimer
Keyword(s):  
Hydrogen Bonding ◽  
Title Compound ◽  
Phenyl Ring ◽  
Room Temperature ◽  
Solid Phase ◽  
Independent Molecule ◽  
Asymmetric Unit ◽  
Torsion Angles ◽  
Compound C ◽  
Independent Molecules

The title compound, C16H14FNO3, was synthesized via solid phase methods; it exhibits monoclinic (P21) symmetry at room temperature. The two independent molecules that comprise the asymmetric unit display distinct torsion angles of 173.2 (2) and 72.6 (2)° along the central sp 3 C—N bond. In the crystal, hydrogen bonding through N—H...O contacts couples the asymmetric unit molecules into pairs that align in layers extending parallel to (100) via additional O—H...O interactions. The phenyl ring of one independent molecule was found to be disordered over two sets of sites in a 0.55 (3):0.45 (3) ratio.

scholarly journals Crystal structure of the cage derivative pentacyclo[5.4.0.02,6.03,10.05,9]undeca-8,11-dione ethylene dithioketal

2014 ◽  
Vol 70 (10) ◽  
pp. 246-248
Author(s):  
Sambasivarao Kotha ◽  
Nampalli Sreenivasachary ◽  
Deepak Deodhar ◽  
Mobin Shaikh
Keyword(s):  
Crystal Structure ◽  
Title Compound ◽  
Single Bond ◽  
Bond Angles ◽  
Bond Lengths

The title pentacycloundecane cage derivative, C13H14OS2, was identified during a thioketalization reaction. The reaction selectively gave the title compound and the product corresponding to bis-ketal was not formed. The title compound exhibits unusual Csp3—Csp3single bond lengths ranging from 1.495 (3) to 1.581 (2) and strained bond angles as small as 89.29 (12) and as large as 115.11 (11)°.

scholarly journals (Z)-N-[1-(Aziridin-1-yl)-2,2,2-trifluoroethylidene]-4-bromoaniline

2014 ◽  
Vol 70 (5) ◽  
pp. o550-o550
Author(s):  
Alexander S. Bunev ◽  
Maksim A. Vasiliev ◽  
Gennady I. Ostapenko ◽  
Alexander S. Peregudov ◽  
Victor N. Khrustalev
Keyword(s):  
Title Compound ◽  
Inversion Center ◽  
Asymmetric Unit ◽  
Torsion Angles ◽  
Compound C ◽  
Independent Molecules

The title compound, C10H8BrF3N2, crystallizes with two independent molecules in the asymmetric unit, which can be considered as being related by a pseudo-inversion center, so their conformations are different; the corresponding N=C—N—C torsion angles are 54.6 (5) and −50.5 (5)°. In the crystal, molecules related by translation in [001] interact through short intermolecular Br...F contacts [3.276 (2) and 3.284 (2) Å], thus forming two types of crystallographically independent chains.

Bis{4-[2-(2-hydroxyphenyl)ethyleneamino]phenyl} ether

2006 ◽  
Vol 62 (5) ◽  
pp. o2056-o2058
Author(s):  
Şerife Pınar ◽  
Mehmet Akkurt ◽  
Ali Asghar Jarrahpour ◽  
Shadab Rezaei ◽  
Orhan Büyükgüngör
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Title Compound ◽  
Phenyl Ether ◽  
Asymmetric Unit ◽  
Bond Lengths ◽  
Compound C

In the title compound, C28H24N2O3, the two molecules in the asymmetric unit have different conformations about the ether bonds. The bond lengths and angles of the two molecules are nearly identical. The crystal structure is stabilized by intramolecular O—H...N and intermolecular C—H...O hydrogen bonding.

scholarly journals Crystal structure of (S)-5-chloro-N-({2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]oxazolidin-5-yl}methyl)thiophene-2-carboxamide

2018 ◽  
Vol 74 (1) ◽  
pp. 51-54 ◽  
Author(s):  
Jie Shen ◽  
Gu-Ping Tang ◽  
Xiu-Rong Hu
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Three Dimensional ◽  
Supramolecular Architecture ◽  
Asymmetric Unit ◽  
Torsion Angles ◽  
Independent Molecules

The asymmetric unit of the crystal of the title compound (common name rivaroxaban), C19H18ClN3O5, contains two rivaroxaban molecules with different conformations; the C—C—N—C torsion angles between the oxazolidine and thiophene rings are −171.1 (7) and −106.8 (9)° in the two independent molecules. In the crystal, classical N—H...O hydrogen bonds and weak C—H...O hydrogen bonds link the molecules into a three-dimensional supramolecular architecture.

scholarly journals Tris(pyrrolidin-1-yl)carbenium tri-μ-iodido-bis[triiodidobismuthate(III)]

IUCrData ◽  
2016 ◽  
Vol 1 (3) ◽  
Author(s):  
Ioannis Tiritiris ◽  
Georg Knobloch ◽  
Stefan Saur ◽  
Willi Kantlehner
Keyword(s):  
Double Bond ◽  
Title Compound ◽  
Rotation Axis ◽  
Asymmetric Unit ◽  
Charge Delocalization ◽  
Iodide Ions ◽  
Bond Lengths ◽  
Distorted Octahedral ◽  
Methylene Groups ◽  
Bond Character

The asymmetric unit of the title compound, 3(C13H24N3)+[Bi2I9]3−, comprises two cations and one half of a [Bi2I9]3−ion. The C—N bond lengths of the CN3units in both cations range from 1.336 (3) to 1.364 (5) Å, indicating partial double-bond character pointing towards charge delocalization within the NCN planes. All five-membered rings adopt an envelope conformation with the C atoms as the flap. One of the pyrrolidine rings (cation I) is disordered over two alternative envelope conformations. Two sets of positions were found for two of the methylene groups with an occupancy ratio of 0.757 (10):0.243 (10). The second disordered pyrrolidine moiety (cation II) is disordered around a twofold rotation axis and exhibits two half-occupied symmetry equivalent counterparts. The two BiIIIions are coordinated by six iodide ions in a distorted octahedral manner, with the Bi–I bond lengths ranging from 2.9544 (2) to 3.2414 (2) Å. Two [BiI6]3−octahedra are fused together through face-sharing, forming a dinuclear [Bi2I9]3−unit. The bond lengths of bismuth to the terminal iodides [2.9544 (2)–2.9889 (2) Å] are shorter than the bridging ones [3.1450 (2)–3.2414 (2) Å].

scholarly journals Bis(1-methylimidazole)[meso-α,α,α,α-tetrakis(o-nicotinamidophenyl)porphinato]iron(II)–1-methylimidazole–tetrahydrofuran (1/1/1.5)

IUCrData ◽  
2021 ◽  
Vol 6 (5) ◽  
Author(s):  
Yingying Fan ◽  
Jianfeng Li
Keyword(s):  
Crystal Structure ◽  
Bond Length ◽  
Dihedral Angle ◽  
Title Compound ◽  
Dihedral Angles ◽  
Asymmetric Unit ◽  
Bond Lengths ◽  
Porphyrin Core ◽  
Solvent Molecules ◽  
Pyrrole Nitrogen

In the title compound, [FeII(C68H44N12O4)(C4H6N2)2]·C4H6N2·1.5C4H8O, the central FeII ion is coordinated by four pyrrole N atoms of the porphyrin core and two N atoms of the 1-methylimidazole ligands in the axial sites. One 1-methylimidazole and one and a half tetrahydrofuran solvent molecules are also present in the asymmetric unit. The complex exhibits a near planar porphyrin core conformation, in which the iron centre is slightly displaced towards the hindered porphyrin side (0.01 Å). The average Fe—Np (Np refers to the pyrrole nitrogen atoms in the porphyrin) bond length is 1.990 (9) Å, and the axial Fe—NIm (NIm refers to the imidazole nitrogen atoms) bond lengths are 1.993 (3) and 2.004 (3) Å. The dihedral angle between the two coordinated 1-methylimidazole planes is 56.6 (2)°. The dihedral angles between the 1-methylimidazole planes and the planes of the closest Fe—Np vector are 16.8 (2) and 39.8 (2)°. N—H...N and N—H...O interactions are observed in the crystal structure.

scholarly journals (4S,5R)-4-Benzyloxy-5-[4-(cyclohexanecarbonyl)phenyl]-1-(4-methoxybenzyl)pyrrolidin-2-one

2014 ◽  
Vol 70 (4) ◽  
pp. o419-o420
Author(s):  
Yan-Jiao Gao ◽  
Jie Ma ◽  
Xiao Zheng
Keyword(s):  
Title Compound ◽  
Cross Coupling ◽  
Chair Conformation ◽  
Relative Orientation ◽  
Carbonyl Groups ◽  
Asymmetric Unit ◽  
Torsion Angles ◽  
The Core ◽  
Compound C ◽  
Unexpected Product

The title compound, C32H35NO4, is an unexpected product obtained in the SmI2-mediated radical cross-coupling of a lactam 2-pyridyl sulfone with an arone. The asymmetric unit contains two molecules. In both molecules, the core pyrrolidinone ring adopts an approximate envelope conformation (with the C atom bearling the benzyloxy substituent as the flap) and the cyclohexyl ring has a chair conformation. The relative orientation of the two substitutent groups at the 4- and 5-positions of the pyrrolidinone ring isantiin both molecules, with O(benzyloxy)—C—C—C(benzene) torsion angles of 150.8 (3) and 154.2 (2)°. In the crystal, C—H...O interactions involving carbonyl groups as acceptors lead to the formation of a tape motif propagating parallel to thea-axis direction.

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