scholarly journals Methyl (1-benzamido-2-methoxy-2-oxoethyl)tryptophanate

IUCrData ◽  
2017 ◽  
Vol 2 (10) ◽  
Author(s):  
Oumaima Karai ◽  
Younas Aouine ◽  
Hassane Faraj ◽  
Anouar Alami ◽  
Abdelilah El Hallaoui ◽  
...  
Keyword(s):  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Phenyl Ring ◽  
Three Dimensional ◽  
Ring System ◽  
Dimensional Structure ◽  
Indole Ring ◽  
Three Dimensional Structure ◽  
Π Interactions ◽  
Title Molecule

The title molecule, C22H23N3O2, is U-shaped, with a dihedral angle of 80.76 (9)° between the indole ring system and the phenyl ring. In the crystal, N—H...O hydrogen bonds combine with N—H...π and C—H...π interactions to generate a three-dimensional structure.

scholarly journals 2-(3-Methylphenyl)-1,2-benzoselenazol-3(2H)-one

IUCrData ◽  
2017 ◽  
Vol 2 (4) ◽  
Author(s):  
Liyun Wang ◽  
Ying Xu ◽  
Zhiqiang Guo ◽  
Xuehong Wei
Keyword(s):  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Three Dimensional ◽  
Ring System ◽  
Dimensional Structure ◽  
Three Dimensional Structure ◽  
Axis Direction ◽  
Π Interactions

In the title ebselen derivative, C14H11NOSe, the nine-membered benzisoselenazolyl ring system is approximately planar (r.m.s. deviation = 0.021 Å). The dihedral angle between its mean plane and that of the 3-methylphenyl ring is 5.37 (11)°. The five-membered isoselenazolyl ring is severely strained at the Se atom: Se—N = 1.889 (2) Å, Se—Car= 1.882 (3) Å and N—Se—Car= 83.30 (10)°. In the crystal, molecules are linked by C—H...O hydrogen bonds and short intermolecular Se...O contacts of 2.6917 (19) Å, forming chains along thec-axis direction. Neighbouring molecules are linked by offset π–π interactions [intercentroid distance = 3.535 (2) Å]. The chains are also linked by C—H...π interactions, forming a three-dimensional structure.

scholarly journals 2-Bromo-1-(1-phenylsulfonyl-1H-indol-3-yl)propan-1-one

2014 ◽  
Vol 70 (3) ◽  
pp. o295-o296
Author(s):  
C. Ramathilagam ◽  
P. R. Umarani ◽  
V. Saravanan ◽  
A. K. Mohanakrishnan ◽  
B. Gunasekaran ◽  
...  
Keyword(s):  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Phenyl Ring ◽  
Ring System ◽  
Indole Ring ◽  
Methyl Group ◽  
Π Interactions ◽  
Compound C ◽  
A Chain

In the title compound, C17H14BrNO3S, the phenyl ring makes a dihedral angle of 89.78 (16)° with the plane of the indole ring system. The terminal Br atom and the methyl group are disordered over two sets of sites, with site occupancies of 0.860 (2) and 0.140 (2). In the crystal, molecules are linked into a chain along theb-axis direction by weak C—H...O hydrogen bonds. The chains are further linked by C—H...π interactions, forming layers parallel to thebcplane.

scholarly journals 5-Bromo-1-methylindoline-2,3-dione

IUCrData ◽  
2016 ◽  
Vol 1 (5) ◽  
Author(s):  
Yassine Kharbach ◽  
Amal Haoudi ◽  
Frédéric Capet ◽  
Ahmed Mazzah ◽  
Lahcen El Ammari
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Three Dimensional ◽  
Ring System ◽  
Dimensional Structure ◽  
Three Dimensional Structure ◽  
Π Interactions ◽  
Compound C ◽  
Centroid Distance ◽  
The Mean

In the title compound, C9H6BrNO2, the indoline ring system, the two ketone O atoms and the Br atom are nearly coplanar, with the largest deviation from the mean plane being −0.1025 (4) Å. In the crystal, molecules are linked by two weak C—H...O hydrogen bonds and π–π interactions [inter-centroid distance = 3.510 (2) Å], forming a three-dimensional structure.

scholarly journals 1-(2-Bromomethyl-1-phenylsulfonyl-1H-indol-3-yl)propan-1-one

2013 ◽  
Vol 69 (12) ◽  
pp. o1802-o1803 ◽  
Author(s):  
M. Umadevi ◽  
V. Saravanan ◽  
R. Yamuna ◽  
A. K. Mohanakrishnan ◽  
G. Chakkaravarthi
Keyword(s):  
Molecular Structure ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Phenyl Ring ◽  
Ring System ◽  
Indole Ring ◽  
Axis Direction ◽  
Π Interactions ◽  
Compound C

In the title compound, C18H16BrNO3S, the dihedral angle between the phenyl ring and the indole ring system is 89.91 (11)°. The molecular structure features weak C—H...O and C—H...Br hydrogen bonds. In the crystal, molecules are linked by weak C—H...O hydrogen bonds, forming chains along thea-axis direction. The chains are further linked by C—H...π interactions, forming a layer parallel to theabplane.

scholarly journals 8-Hydroxy-3,4-bis(4-methoxyphenyl)-1H-isochromen-1-one

IUCrData ◽  
2017 ◽  
Vol 2 (4) ◽  
Author(s):  
Sivakalai Mayakrishnan ◽  
Y. Arun ◽  
Narayanan Uma Maheswari
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Three Dimensional ◽  
Ring System ◽  
Dimensional Structure ◽  
Three Dimensional Structure ◽  
Π Interactions ◽  
Compound C ◽  
Benzene Rings ◽  
The Mean

In the title compound, C23H18O5, the two methoxy-substituted benzene rings are inclined to one another by 67.0 (2)° and to the mean plane of the 1H-isochromene ring system by 67.21 (16) and 27.61 (17)°. There is an intramolecular C—H...π interaction present involving the two 4-methoxyphenyl rings. In the crystal, molecules are linked by O—H...O hydrogen bonds, forming chains propagating along the [301] direction. The chains are linked by a number of C—H...π interactions, forming a three-dimensional structure.

scholarly journals Ethyl 2-amino-4-(3-nitrophenyl)-4H-1-benzothieno[3,2-b]pyran-3-carboxylate

2014 ◽  
Vol 70 (5) ◽  
pp. o587-o587 ◽  
Author(s):  
Mohamed Bakhouch ◽  
Ghali Al Houari ◽  
Mohamed El Yazidi ◽  
Mohamed Saadi ◽  
Lahcen El Ammari
Keyword(s):  
Hydrogen Bonds ◽  
Aromatic Ring ◽  
Dihedral Angle ◽  
Title Compound ◽  
Phenyl Ring ◽  
Three Dimensional ◽  
Ring System ◽  
Π Interactions ◽  
Compound C ◽  
Dimensional Network

The molecule of the title compound, C20H16N2O5S, is built up by one fused five-membered and two fused six-membered rings linked to ethoxycarbonyl and 3-nitrophenyl groups. The benzothienopyran ring system is nearly planar (r.m.s deviation = 0.0392 Å) and forms a dihedral angle of 86.90 (6)° with the aromatic ring of the nitrobenzene group. In the crystal, molecules are linked by N—H...O hydrogen bonds and by π–π interactions between the phenyl ring and the six-membered heterocyle [intercentroid distance = 3.5819 (8) Å], forming a three-dimensional network.

scholarly journals 3-(4-Chlorophenyl)-4-phenylthiosydnone

IUCrData ◽  
2016 ◽  
Vol 1 (10) ◽  
Author(s):  
David A. Grossie ◽  
Kenneth Turnbull
Keyword(s):  
Hydrogen Bonds ◽  
Phenyl Ring ◽  
Three Dimensional ◽  
Dimensional Structure ◽  
Three Dimensional Structure ◽  
Π Interactions

In the structure of C14H9ClN2O2S [systematic name: 3-(4-chlorophenyl)-4-(phenylsulfanyl)-1,2,3λ5-oxadiazol-3-ylium-5-olate], the central sydnone ring is inclined at angles of 67.49 (10)° to the phenyl ring of the thiophenyl substituent and 52.61 (10)° to the chlorophenyl ring. The compound crystallizes utilizing a network of weak S and Cl-based hydrogen bonds, together with S...π, O...π and C—H...π interactions, forming a three-dimensional structure. In spite of having three planar rings, no π–π interactions are found.

scholarly journals 5-Chloro-2-(2-fluorophenyl)-7-methyl-3-methylsulfinyl-1-benzofuran

2014 ◽  
Vol 70 (6) ◽  
pp. o706-o706
Author(s):  
Hong Dae Choi ◽  
Uk Lee
Keyword(s):  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Three Dimensional ◽  
Dimensional Structure ◽  
Three Dimensional Structure ◽  
Π Interactions ◽  
Compound C ◽  
The Mean

In the title compound, C16H12ClFO2S, the dihedral angle between the mean planes of the benzofuran and 2-fluorophenyl rings is 34.85 (6)°. In the crystal, molecules are linkedviapairs of C—H...O hydrogen bonds, forming zigzag chains along [001]. The chains are linked by C—H...π interactions, forming a three-dimensional structure.

scholarly journals 1,1-Difluoro-3-phenyl-9-(pyridin-2-yl)-1H-1λ4,11λ4-1,3,5,2-oxadiazaborinino[3,4-a][1,8]naphthyridine

IUCrData ◽  
2016 ◽  
Vol 1 (7) ◽  
Author(s):  
Bang Zhong Wang ◽  
Yong Zhou ◽  
Jun Ping Zhou ◽  
Jian Song Luo ◽  
Shao Ming Chi
Keyword(s):  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Phenyl Ring ◽  
Pyridine Ring ◽  
Three Dimensional ◽  
Ring System ◽  
Supramolecular Architecture ◽  
Π Interactions ◽  
Compound C

In the title compound, C20H13BF2N4O, the central fused three-ring oxadiazaborininonaphthyridine system is planar (r.m.s. deviation of 0.03 Å). The phenyl ring lies in the plane of this ring system, making a dihedral angle of 0.61 (14)°, and is inclined to the pyridine ring by 9.02 (19)°. In the crystal, molecules are connected by C—H...F hydrogen bonds, forming chains propagating along theb-axis direction. The chains are linked by offset π–π interactions [intercentroid distance = 3.4550 (13) Å], forming a three-dimensional supramolecular architecture.

scholarly journals Crystal structure of 4-(3,4-dicyanophenoxy)-N-[3-(dimethylamino)propyl]benzamide monohydrate: a phenoxyphthalonitrile derivative

2015 ◽  
Vol 71 (9) ◽  
pp. 1042-1044
Author(s):  
Senem Çolak ◽  
Salih Zeki Yıldız ◽  
Nagihan Çaylak Delibaş ◽  
Hasan Pişkin ◽  
Tuncer Hökelek
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Three Dimensional ◽  
Dimensional Structure ◽  
Three Dimensional Structure ◽  
Π Interactions ◽  
Extended Conformation ◽  
Compound C

In the title compound, C20H20N4O2·H2O, the planes of the phenoxy and phthalonitrile rings are oriented at a dihedral angle of 60.39 (5)°. The 3-(dimethylamino)propyl chain has an extended conformation and isciswith respect to the phthalonitrile ring. In the crystal, O—H...O, O—H...N and N—H...O hydrogen bonds link the molecules to form slabs parallel to (100). There are also C—H...O and C—H...N hydrogen bonds and C—H...π interactions present within the slabs. The slabs are linked by a pair of inversion-related C—H...N hydrogen bonds, involving phthalonitrile rings, forming a three-dimensional structure.

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