scholarly journals 1-{[3-(Thiophen-2-yl)-4,5-dihydro-1,2-oxazol-5-yl]methyl}-2,3-dihydro-1H-indole-2,3-dione

IUCrData ◽  
2017 ◽  
Vol 2 (3) ◽  
Author(s):  
Ibtissam Rayni ◽  
Youness El Bakri ◽  
Jihad Sebhaoui ◽  
Khadija El Bourakadi ◽  
El Mokhtar Essassi ◽  
...  
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Supramolecular Structure ◽  
Three Dimensional ◽  
Isoxazole Ring ◽  
Π Interactions ◽  
Envelope Conformation ◽  
Compound C ◽  
Acceptor Atom

In the title compound, C16H12N2O3S, the indoline and thiophene rings are inclined to one another by 2.01 (2)°. The isoxazole ring adopts an envelope conformation, with the methine C atom as the flap, and its mean plane is inclined to the thiophene and indoline ring mean planes by 19.78 (14) and 20.83 (12)°, respectively. In the crystal, molecules are linked by C—H...O hydrogen bonds involving the same acceptor atom, forming chains propagating along [010]. The chains are linked by further C—H...O hydrogen bonds, forming slabs parallel to the (-103) plane. The slabs are linked by offset π–π interactions [intercentroid distance = 3.792 (1) Å], forming a three-dimensional supramolecular structure.

scholarly journals Crystal structure ofO-benzyl-L-tyrosineN-carboxy anhydride

2017 ◽  
Vol 73 (4) ◽  
pp. 553-555
Author(s):  
Aya Inada ◽  
Hitoshi Kanazawa
Keyword(s):  
Crystal Structure ◽  
Solid State ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Supramolecular Structure ◽  
Three Dimensional ◽  
Π Interactions ◽  
Compound C

In the title compound, C17H15NO4(alternative name;O-benzyl-L-tyrosineN-carboxy anhydride), the oxazolidine ring is planer, with an r.m.s. deviation of 0.039 Å. The benzyloxy and benzyl rings are almost coplanar, making a dihedral angle of 0.078 (10)°, and are inclined to the oxazolidine ring by 59.16 (11) and 58.42 (11)°, respectively. In the crystal, molecules are linked by N—H...O and C—H...O hydrogen bonds, forming ribbons propagating along [010]. The ribbons are linked by C—H...π interactions, forming a three-dimensional supramolecular structure. The oxazolidine rings of adjacent ribbons are arranged into a layer parallel to theabplane. This arrangement is favourable for the polymerization of the compound in the solid state.

scholarly journals 4-(4-Bromophenyl)-8-methyl-2-oxo-1,2,3,4,4a,5,6,7-octahydroquinoline-3-carbonitrile

2012 ◽  
Vol 68 (8) ◽  
pp. o2376-o2377
Author(s):  
Abdullah M. Asiri ◽  
Hassan M. Faidallah ◽  
Seik Weng Ng ◽  
Edward R. T. Tiekink
Keyword(s):  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Torsion Angle ◽  
Title Compound ◽  
Phenyl Ring ◽  
Three Dimensional ◽  
Π Interactions ◽  
Envelope Conformation ◽  
Compound C ◽  
Cyclohexene Ring

In the title compound, C17H17BrN2O, the N-containing ring adopts an envelope conformation with the C atom carrying the phenyl ring displaced by −0.531 (9) Å from the plane defined by the remaining five atoms (r.m.s. deviation = 0.0099 Å). The benzene ring is almost orthogonal to the ring to which it is attached, the CCN—C—CPh—CPhtorsion angle being −101.3 (7)°. The cyclohexene ring is disordered over two conformations in a statistical ratio. The most prominent interactions in the crystal are pairs of N—H...O hydrogen bonds between inversion-related molecules. The resulting dimers are linked into a three-dimensional architecture by C—H...N, C—H...Br and C—H...π interactions.

scholarly journals 3,5-Dichloro-N-(4-methylphenyl)benzenesulfonamide

IUCrData ◽  
2017 ◽  
Vol 2 (3) ◽  
Author(s):  
K. Shakuntala ◽  
S. Naveen ◽  
N. K. Lokanath ◽  
P. A. Suchetan
Keyword(s):  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Torsion Angle ◽  
Title Compound ◽  
Supramolecular Structure ◽  
Three Dimensional ◽  
Axis Direction ◽  
Π Interactions ◽  
Compound C ◽  
Benzene Rings

The molecule of the title compound, C13H11Cl2NO2S, is U-shaped with the central C—S—N—C segment having a torsion angle of 67.2 (4)°. The dihedral angle between the benzene rings is 57.0 (2)°. In the crystal, molecules are linked via N—H...O and C—H...O hydrogen bonds, forming chains propagating along the a-axis direction. The chains are linked by C—H...π interactions, forming a three-dimensional supramolecular structure.

scholarly journals 8-Methyl-3-methylsulfanyl-8a,8b-dihydro-5H-1-oxa-2,4-diazaacenaphthylene

IUCrData ◽  
2021 ◽  
Vol 6 (6) ◽  
Author(s):  
Akoun Abou ◽  
Fanté Bamba ◽  
Jérôme Marrot ◽  
Soro Yaya ◽  
Jean-Marie Coustard
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Three Dimensional ◽  
Chair Conformation ◽  
Acute Angle ◽  
Dihedral Angles ◽  
Isoxazole Ring ◽  
Π Interactions ◽  
Compound C ◽  
Dimensional Network

In the tricyclic title compound, C11H12N2OS, the 2,3,4,5-tetrahydropyridine ring adopts a half-chair conformation. This ring makes dihedral angles of 27.72 (7) and 45.17 (7)°, respectively, with the isoxazole and the cyclohexa-1,3-diene rings while the isoxazole ring is oriented at an acute angle of 63.46 (7)° with respect to the cyclohexa-1,3-diene ring. In the crystal, molecules associate via C—H...N hydrogen bonds and C—H...π interactions, forming a three-dimensional network.

scholarly journals Benzyl 3-(3,4,5-trimethoxybenzylidene)dithiocarbazate

IUCrData ◽  
2016 ◽  
Vol 1 (2) ◽  
Author(s):  
M. A. A. A. A. Islam ◽  
M. C. Sheikh ◽  
A. A. Mahmud ◽  
R. Miyatake ◽  
E. Zangrando
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Supramolecular Structure ◽  
Three Dimensional ◽  
Aromatic Rings ◽  
Π Interactions ◽  
Compound C ◽  
The Mean ◽  
Ring Motif

The title compound, C18H20N2O3S2, a dithiocarbazate derivative, adopts anEconformation about the C=N bond. The trimethoxyphenyl group and the dithiocarbazate fragment lie almost in the same plane, with the mean plane of the dithiocarbazate unit being inclined to the trimethoxyphenyl ring by 13.34 (6)°. The aromatic rings are inclined to one another by 75.30 (9)°. In the crystal, molecules are linkedviapairs of N—H...S hydrogen bonds, forming inversion dimers with anR22(8) ring motif. The dimers are linkedviaC—H...O hydrogen bonds, forming undulating sheets lying parallel to (103) which are linkedviaC—H...π interactions, forming a three-dimensional supramolecular structure.

scholarly journals N-(4-Chlorophenylsulfonyl)-4-iodobenzamide

IUCrData ◽  
2017 ◽  
Vol 2 (1) ◽  
Author(s):  
S. Naveen ◽  
A. G. Sudha ◽  
E. Suresha ◽  
N. K. Lokanath ◽  
P. A. Suchetan ◽  
...  
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Supramolecular Structure ◽  
Three Dimensional ◽  
Π Interactions ◽  
Compound C ◽  
Benzene Rings ◽  
Ring Motif

In the title compound, C13H9ClINO3S, the benzene rings are inclined to one another by 81.6 (2)°. In the crystal, molecules are linked by pairs of N—H...O hydrogen bonds, forming inversion dimers with anR22(8) ring motif. The dimers are linked by C—H...O hydrogen bonds, forming sheets parallel to thebcplane. Neighbouring sheets are linkedviaoffset π–π interactions involving inversion-related iodobenzene rings [intercentroid distance = 3.807 (3) Å], forming a three-dimensional supramolecular structure.

scholarly journals Crystal structure of cholest-5-en-3β-yl 3-(2,4-dimethoxy-3-methylphenyl)prop-2-enoate

2015 ◽  
Vol 71 (2) ◽  
pp. o92-o93
Author(s):  
Bernhard Bugenhagen ◽  
Ariane Munk ◽  
Volkmar Vill ◽  
Yosef Al Jasem ◽  
Thies Thiemann
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Three Dimensional ◽  
Chair Conformation ◽  
Π Interactions ◽  
Envelope Conformation ◽  
Compound C ◽  
Axis Parallel

In the title compound, C39H58O4, the steroid ringsAandCadopt a chair conformation, while ringBadopts a half-chair conformation, and ringDhas an envelope conformation, with the methyl-substituted C atom as the flap. In the crystal, molecules pack within layers parallel to (100), with their long axis parallel to the [101] direction. Adjacent layers are linkedviaC—H...O hydrogen bonds and C—H...π interactions, forming a three-dimensional framework.

scholarly journals Crystal structure of 2-benzylamino-4-p-tolyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile

2015 ◽  
Vol 71 (2) ◽  
pp. 192-194
Author(s):  
R. A. Nagalakshmi ◽  
J. Suresh ◽  
S. Maharani ◽  
R. Ranjith Kumar ◽  
P. L. Nilantha Lakshman
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Pyridine Ring ◽  
Three Dimensional ◽  
Π Interactions ◽  
Compound C ◽  
Centroid Distance ◽  
Cyclopentane Ring ◽  
Ring Motif

The title compound, C23H21N3, comprises a 2-amino-3-cyanopyridine ring fused with a cyclopentane ring. The later adopts an envelope conformation with the central methylene C atom as the flap. The benzyl and andp-tolyl rings are inclined to one another by 56.18 (15)°, and to the pyridine ring by 81.87 (14) and 47.60 (11)°, respectively. In the crystal, molecules are linked by pairs of N—H...Nnitrilehydrogen bonds, forming inversion dimers with anR22(12) ring motif. The dimers are linked by C—H...π and π–π interactions [centroid–centroid distance = 3.7211 (12) Å], forming a three-dimensional framework.

scholarly journals 14,15-Didehydrohellebrigenin

2012 ◽  
Vol 68 (6) ◽  
pp. o1614-o1615
Author(s):  
Tong Yu ◽  
Hai-Yan Tian ◽  
Xiao-Feng Yuan ◽  
Shu-Zhi Hu ◽  
Ren-Wang Jiang
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Lactone Ring ◽  
Three Dimensional ◽  
Membered Ring ◽  
Envelope Conformation ◽  
Compound C ◽  
Dimensional Network ◽  
Hydroxy Groups

The title compound, C24H30O5, is the didehydro product of the steroid hellebrigenin (systematic name: 3β,5,14-trihydroxy-19-oxo-5β-bufa-20,22-dienolide). It consists of three cyclohexane rings (A, B and C), a five-membered ring (D) and a six-membered lactone ring (E). The stereochemistry of the ring junctions are A/B cis, B/C trans and C/D cis. Cyclohexane rings A, B and C have normal chair conformations. The five-membered ring D with the C=C bond adopts an envelope conformation. Lactone ring E is essentially planar with a mean derivation of 0.006 (4) Å and is β-oriented at the C atom of ring D to which it is attached. There is an O—H...O hydrogen bond in the molecule involving the hydroxy groups. In the crystal, O—H...O hydrogen bonds link the molecules into chains propagating along [010]. The chains are linked by C—H...O contacts into a three-dimensional network.

scholarly journals Crystal structure of (±)-(4RS,5RS,7SR)-4-[(1RS,2RS,3RS,6RS)-3-benzoyloxy-2-(2-hydroxyethyl)-6-methoxymethoxy-2-methylcyclohexyl]-8,10,10-trimethyl-2-oxo-1,3-dioxaspiro[4.5]dec-8-en-7-yl benzoate benzene monosolvate

2015 ◽  
Vol 71 (1) ◽  
pp. 8-11 ◽  
Author(s):  
Takeshi Oishi ◽  
Yuu Yamaguchi ◽  
Keisuke Fukaya ◽  
Tomoya Sugai ◽  
Ami Watanabe ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Benzene Molecule ◽  
Π Interactions ◽  
Envelope Conformation ◽  
Compound C ◽  
Graph Set

In the title compound, C36H44O10·C6H6, the dioxolane ring adopts an envelope conformation with the C atom bonded to the H atom as the flap, while the cyclohexene and cyclohexane rings are in half-chair and chair conformations, respectively. In the crystal, a pair of O—H...O hydrogen bonds with anR22(26) graph-set motif connect the benzoate molecules into an inversion dimer. The dimers are linked by a weak C—H...O interaction into a tape structure along [01-1]. The benzene molecule links the tapes through C—H...O and C—H...π interactions, forming a sheet parallel to (100).

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