scholarly journals The synthesis and crystal structure of 2-(chloroselanyl)pyridine 1-oxide: the first monomeric organoselenenyl chloride stabilized by an intramolecular secondary Se...O interaction

2016 ◽  
Vol 72 (12) ◽  
pp. 1864-1866
Author(s):  
Rizvan K. Askerov ◽  
Zhanna V. Matsulevich ◽  
Galina N. Borisova ◽  
Svetlana A. Zalepkina ◽  
Vasiliy F. Smirnov ◽  
...  
Keyword(s):  
Molecular Structure ◽  
Crystal Structure ◽  
Carbon Atom ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Bond Angle ◽  
Planar Geometry ◽  
Synthesis And Crystal Structure ◽  
Compound C ◽  
The Ideal

The title compound, C5H4ClNOSe, is the product of the reaction of sulfuryl chloride and 2-selanyl-1-pyridine 1-oxide in dichloromethane. The molecule has an almost planar geometry (r.m.s. deviation = 0.012 Å), and its molecular structure is stabilized by an intramolecular secondary Se...O interaction of 2.353 (3) Å, closing a four-membered N—C—Se...O ring. The title compound represents the first monomeric organoselenenyl chloride stabilized intramolecularly by an interaction of this type. The non-valent attractive Se...O interaction results in a substantial distortion of the geometry of theipso-carbon atom. Theendo-cyclic N—C—Se [102.1 (3)°] andexo-cyclic C—C—Se [136.9 (3)°] bond angles deviate significantly from the ideal value of 120° for ansp2-hybridized carbon atom, the former bond angle being much smaller than the latter. In the crystal, molecules are linked by C—H...O hydrogen bonds, forming zigzag chains propagating along [010]. The chains, which stack along thea-axis direction, are linked by offset π–π interactions [intercentroid distance = 3.960 (3) Å], forming corrugated sheets parallel to theabplane.

scholarly journals Synthesis and crystal structure ofN-(4-chlorophenyl)-5,7-dimethyl-1,2,4-triazolo[1,5-a]pyrimidin-2-amine

2017 ◽  
Vol 73 (1) ◽  
pp. 35-37
Author(s):  
Hlib Repich ◽  
Svitlana Orysyk ◽  
Pavlo Savytskyi ◽  
Vasyl Pekhnyo
Keyword(s):  
Molecular Structure ◽  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Triazole Ring ◽  
Amino Group ◽  
Stacking Interactions ◽  
Synthesis And Crystal Structure ◽  
Compound C ◽  
Aromatic Systems

The title compound, C13H12ClN5, was synthesized by the cyclization of 1-(4,6-dimethylpyrimidin-2-yl)-4-phenylthiosemicarbazide in the presence of Ni(NO3)2. The molecular structure of the compound is essentially planar. In the crystal, molecules form dimersviapairs of N—H...N hydrogen bonds between the H atom of the exocyclic amino group and the N atom at the 4-position of the triazole ring. The resulting dimers are packed into layers which are connected by π-stacking interactions between the aromatic systems of the pyrimidine and benzene nuclei, and between the triazole cores.

scholarly journals Crystal structure of 2-chloro-5-(3-hydroxy-3-methylbut-1-yn-1-yl)pyrimidine

2017 ◽  
Vol 73 (8) ◽  
pp. 1172-1174
Author(s):  
Jörg Hübscher ◽  
Wilhelm Seichter ◽  
Edwin Weber
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Three Dimensional ◽  
Planar Geometry ◽  
Supramolecular Architecture ◽  
Compound C

In the title compound, C9H9ClN2O, the ethynylpyrimidine moiety displays an almost planar geometry. In the crystal, molecules are linked by O—H...N and C—Hpyrimidine...O hydrogen bonds, forming a three-dimensional supramolecular architecture.

scholarly journals N-(3,5-Dimethylphenyl)-P,P-diphenylphosphinic amide

IUCrData ◽  
2018 ◽  
Vol 3 (8) ◽  
Author(s):  
Niloufar Khojandi ◽  
Nigam P. Rath ◽  
Myron W. Jones
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Molecular Conformation ◽  
Bond Angle ◽  
Tetrahedral Geometry ◽  
Distorted Tetrahedral Geometry ◽  
Compound C ◽  
Tetrahedral Bond ◽  
The Ideal

In the title compound, C20H20NOP, the P atom, with a distorted tetrahedral geometry, is attached to an O atom, two phenyl groups, and a 3,5-dimethylaniline group. The N—P—C [102.29 (12) and 108.97 (12)°] and C—P—C [107.14 (12)°] bond angles are all smaller than the ideal 109.5° tetrahedral bond angle, whereas the O—P—C [113.07 (12) and 110.62 (12)°] and O—P—N [114.24 (13)°] angles are all larger than 109.5°. A weak intramolecular C—H...O hydrogen bond helps to establish the molecular conformation. In the crystal, the molecules are linked by N—H...O hydrogen bonds, generating [001] chains.

scholarly journals Crystal structure of 2-[(1R,2R,4aS,8aS)-2-hydroxy-2,5,5,8a-tetramethyldecahydronaphthalen-1-yl]-N-(o-tolyl)acetamide

2015 ◽  
Vol 71 (10) ◽  
pp. o788-o789
Author(s):  
Dang-Dang Li ◽  
Xin-Wei Shi ◽  
Qiang-Qiang Lu ◽  
Sheng-Kun Li
Keyword(s):  
Molecular Structure ◽  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Three Dimensional ◽  
Dimensional Structure ◽  
Compound C ◽  
Amide Derivative ◽  
Ring Motif

The title compound, C23H35NO2, is an amide derivative of the lactone (+)-sclareolide, and was synthesized from natural sclareol. In the molecular structure, the two six-membered rings (AandB) of the labdane skeleton aretrans-fused, and adopt chair conformations. There is an intramolecular N—H...O hydrogen bond present forming anS(7) ring motif. In the crystal, O—H...O hydrogen bonds link the molecules into helical chains propagating along theb-axis direction. The chains are linkedviaC—H...π interactions, forming a three-dimensional structure.

scholarly journals Crystal structure of 1,3-dicyclohexyl-4,5-dimethyl-1H-imidazol-3-ium-2-carbodithioate chloroform monosolvate

2014 ◽  
Vol 70 (12) ◽  
pp. o1227-o1228
Author(s):  
Eyad Mallah ◽  
Kamal Sweidan ◽  
Wael Abu Dayyih ◽  
Manfred Steimann ◽  
Mahmoud Sunjuk
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Bond Angle ◽  
Solvent Molecule ◽  
Compound C

The title compound, C18H28N2S2·CHCl3, crystallizes as a zwitterion. The C—S bonds are almost equivalent, with lengths of 1.666 (3) and 1.657 (3) Å. The S—C—S bond angle is expanded to 129.54 (16)° and the N—C—N angle is reduced to the tetrahedal value of 108.8 (2)°. In the crystal, adjacent molecules are linkedviaC—H...S hydrogen bonds, forming chains along [100]. The chloroform solvent molecule, which is disordered over two positions [occupancy ratio = 0.51 (2):0.49 (2)], is linked to the chain by bifurcated C—H...(S,S) hydrogen bonds.

scholarly journals Crystal structure ofrac-3-hydroxy-2-(p-tolyl)-2,3,3a,4,7,7a-hexahydro-1H-4,7-methanoisoindol-1-one

2015 ◽  
Vol 71 (3) ◽  
pp. o143-o144
Author(s):  
Mehmet Aslantaş ◽  
Cumali Çelik ◽  
Ömer Çelik ◽  
Arzu Karayel
Keyword(s):  
Molecular Structure ◽  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Boat Conformation ◽  
Π Interactions ◽  
Compound C ◽  
Cyclohexene Ring

In the title compound, C16H17NO2, the cyclohexene ring adopts a boat conformation, and the five-membered rings have envelope conformations with the bridging atom as the flap. Their mean planes are oriented at a dihedral angle of 86.51 (7)°. The molecular structure is stabilized by a short intramolecular C—H...O contact. In the crystal, molecules are linked by O—H...O hydrogen bonds forming chains propagating along [100]. The chains are linked by C—H...π interactions, forming slabs parallel to (001).

scholarly journals Crystal structure of diethyl 2-amino-6-[(thiophen-3-yl)ethynyl]azulene-1,3-dicarboxylate

2015 ◽  
Vol 71 (3) ◽  
pp. o212-o213
Author(s):  
Sebastian Förster ◽  
Wilhelm Seichter ◽  
Edwin Weber
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Thiophene Ring ◽  
Planar Geometry ◽  
Π Interactions ◽  
Compound C ◽  
Ring Motif

The title compound, C22H19NO4S, has an almost planar geometry supported by intramolecular N—H...O and C—H...O hydrogen bonds. The thiophene ring is inclined to the azulene ring by 4.85 (16)°, while the ethoxycarbonyl groups are inclined to the azulene ring by 7.0 (2) and 5.7 (2)°. In the crystal, molecules are linked by pairs of N—H...O hydrogen bonds, forming inversion dimers with anR22(12) ring motif. The dimers are linkedviaC—H...π interactions, forming sheets parallel to (10-1).

scholarly journals Crystal structure of (2-bromomethyl-1-phenylsulfonyl-1H-indol-3-yl)(phenyl)methanone

2015 ◽  
Vol 71 (2) ◽  
pp. o86-o87 ◽  
Author(s):  
M. Umadevi ◽  
V. Saravanan ◽  
R. Yamuna ◽  
A. K. Mohanakrishnan ◽  
G. Chakkaravarthi
Keyword(s):  
Molecular Structure ◽  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Ring System ◽  
Dihedral Angles ◽  
Indole Ring ◽  
Tetrahedral Configuration ◽  
Compound C ◽  
Phenyl Rings

In the title compound, C22H16BrNO3S, the phenyl rings make dihedral angles of 84.81 (16) and 61.67 (17)° with the indole ring system (r.m.s. deviation = 0.012 Å), while the phenyl rings are inclined to one another by 69.5 (2)°. The molecular structure is stabilized by weak intramolecular C—H...O hydrogen bonds. The sulfonyl S atom has a distorted tetrahedral configuration. In the crystal, there are no significant intermolecular interactions present.

5-[(5-Methylthiazol-2-yl)diazenyl]pyrimidine-2,4,6(1H,3H,5H)-trione

2007 ◽  
Vol 63 (3) ◽  
pp. o1506-o1508 ◽  
Author(s):  
Tuncer Hökelek ◽  
Zeynel Seferoğlu ◽  
Ertan Şahin ◽  
Nermin Ertan
Keyword(s):  
Molecular Structure ◽  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Barbituric Acid ◽  
Thiazole Ring ◽  
Compound C

In the molecular structure of the title compound, C8H7N5O3S, the thiazole ring is oriented with respect to the barbituric acid ring at a dihedral angle of 5.14 (9)°. In the crystal structure, intermolecular N—H...N and N—H...O hydrogen bonds link the molecules, forming a layer parallel to the ac plane.

scholarly journals N,N′-Dicyclohexyl-N-(phthaloylglycyl)urea

IUCrData ◽  
2021 ◽  
Vol 6 (7) ◽  
Author(s):  
Sylvain Bernès ◽  
María Guadalupe Hernández-Linares
Keyword(s):  
Molecular Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Bond Angle ◽  
Planar Geometry ◽  
Extended Structure

The molecular structure of the title compound {systematic name: 1,3-dicyclohexyl-1-[2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)acetyl]urea}, C23H29N3O4, derived from N,N′-dicyclohexylurea, shows that the tertiary N atom substituted by a cyclohexyl and phthaloylglycyl groups adopts a perfectly planar geometry (bond-angle sum = 360.0°). In the same way as for N,N′-dicyclohexylurea, the extended structure of the title compound features N—H...O hydrogen bonds, which generate chains of molecules running in the [001] direction.

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