scholarly journals Methyltrans-(±)-1-oxo-2-phenethyl-3-(thiophen-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxylate

2009 ◽  
Vol 65 (6) ◽  
pp. o1287-o1288
Author(s):  
Mehmet Akkurt ◽  
Selvi Karaca ◽  
Milen G. Bogdanov ◽  
Meglena I. Kandinska ◽  
Orhan Büyükgüngör
Keyword(s):  
Crystal Structure ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Title Compound ◽  
Phenyl Ring ◽  
Thiophene Ring ◽  
Piperidine Ring ◽  
Dihedral Angles ◽  
Boat Conformation ◽  
Compound C

In the title compound, C23H21NO3S, the piperidine ring of the tetrahydroisoquinolinone unit adopts a screw-boat conformation. The thiophene ring is disordered in a 0.700 (3):0.300 (3) ratio by an approximate 180° rotation of the ring around the C—C bond linking the ring to the tetrahydroisoquinolinone unit. The benzene ring of the tetrahydroisoquinolinone unit makes dihedral angles of 83.1 (2) and 62.38 (11)° with the major occupancy thiophene ring and the phenyl ring, respectively. The dihedral angle between the phenyl ring and the thiophene ring is 71.0 (2)°. In the crystal structure, molecules are linked together by intermolecular C—H...O and C—H...π interactions.

scholarly journals Crystal structure of 1,2-bis(2,6-dimethylphenyl)-3-phenylguanidine

2015 ◽  
Vol 71 (7) ◽  
pp. o506-o507
Author(s):  
Hongfei Han ◽  
Zhiqiang Guo ◽  
Xuehong Wei
Keyword(s):  
Crystal Structure ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Title Compound ◽  
Phenyl Ring ◽  
Dihedral Angles ◽  
Compound C ◽  
Centroid Distance ◽  
Adjacent Molecule

In the title compound, C23H25N3, the dihedral angles between the planes of the benzene ring and the two substituent dimethylphenyl rings are 60.94 (7)° and 88.08 (7)°, and the dihedral angle between the planes of the two dimethylphenyl rings is 58.01 (7)°. In the crystal, weak C—H...N interactions exist between adjacent molecules. One of the dimethylphenyl rings has a small amount of π–π overlap with the phenyl ring of an adjacent molecule [centroid-to-centroid distance = 3.9631 (12) Å].

scholarly journals Crystal structure of (Z)-2-benzylidene-4-methyl-2H-benzo[b][1,4]thiazin-3(4H)-one

2015 ◽  
Vol 71 (11) ◽  
pp. o862-o863 ◽  
Author(s):  
Mohamed Ellouz ◽  
Nada Kheira Sebbar ◽  
El Mokhtar Essassi ◽  
Mohamed Saadi ◽  
Lahcen El Ammari
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Title Compound ◽  
Phenyl Ring ◽  
Boat Conformation ◽  
Compound C ◽  
Thiazine Ring

In the title compound, C16H13NOS, the 1,4-thiazine ring displays a screw-boat conformation. The conformation about the ethene bond [1.344 (2) Å] isZ. The plane of the fused benzene ring makes a dihedral angle of 58.95 (9)° with the pendent phenyl ring, indicating a twisted conformation in the molecule. In the crystal, molecules are linked by pairs of C—H...O hydrogen bonds, forming inversion dimers.

scholarly journals Crystal structure ofN1-phenyl-N4-[(quinolin-2-yl)methylidene]benzene-1,4-diamine

2014 ◽  
Vol 70 (9) ◽  
pp. o905-o906 ◽  
Author(s):  
Md. Serajul Haque Faizi ◽  
Ashraf Mashrai ◽  
Saleem Garandal ◽  
M. Shahid
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Benzene Ring ◽  
Title Compound ◽  
Phenyl Ring ◽  
Bond Angle ◽  
Ring System ◽  
Dihedral Angles ◽  
Quinoline Ring ◽  
Compound C

In the title compound, C22H17N3, the dihedral angles between the central benzene ring and the terminal phenyl ring and quinoline ring system (r.m.s. deviation = 0.027 Å) are 44.72 (7) and 9.02 (4)°, respectively, and the bond-angle sum at the amine N atom is 359.9°. In the crystal, the N—H group is not involved in hydrogen bonding and the molecules are linked by weak C—H...π interactions, generating [010] chains.

scholarly journals Crystal structure of 2-chloro-1-(3-ethyl-2,6-diphenylpiperidin-1-yl)ethanone

2015 ◽  
Vol 71 (2) ◽  
pp. o122-o122
Author(s):  
V. Shreevidhyaa Suressh ◽  
B. K. Revathi ◽  
S. Abdul Basheer ◽  
S. Ponnuswamy ◽  
G. Usha
Keyword(s):  
Crystal Structure ◽  
Dihedral Angle ◽  
Title Compound ◽  
Piperidine Ring ◽  
Boat Conformation ◽  
Compound C ◽  
Benzene Rings ◽  
Twisted Boat

In the racemic title compound, C21H24ClNO, the dihedral angle between the planes of the benzene rings is 86.52 (14)° and those between the benzene rings and the piperidine ring are 61.66 (14) and 86.39 (14)°. The piperidine ring adopts a twisted boat conformation. No directional interactions could be detected in the crystal.

scholarly journals Crystal structure of 4-chloro-N-[2-(piperidin-1-yl)ethyl]benzamide monohydrate

2015 ◽  
Vol 71 (1) ◽  
pp. o39-o40 ◽  
Author(s):  
K. Prathebha ◽  
D. Reuben Jonathan ◽  
B. K Revathi ◽  
S. Sathya ◽  
G. Usha
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Water Molecule ◽  
Dihedral Angle ◽  
Title Compound ◽  
Phenyl Ring ◽  
Chair Conformation ◽  
Piperidine Ring ◽  
Compound C ◽  
The Mean

In the title compound, C14H19ClN2O2·H2O, the piperdine ring adopts a chair conformation. The dihedral angle between the mean plane of the piperidine ring and that of the phenyl ring is 41.64 (1)°. In the crystal, molecules are linked by O—H...N, N—H...O and C—H...O hydrogen bonds involving the water molecule, forming double-stranded chains propagating along [010].

scholarly journals Crystal structure of (4-chlorophenyl)(4-methylpiperidin-1-yl)methanone

2020 ◽  
Vol 76 (4) ◽  
pp. 534-538
Author(s):  
J. Srividya ◽  
D. Reuben Jonathan ◽  
B. K. Revathi ◽  
M. Divya Bharathi ◽  
G. Anbalagan
Keyword(s):  
Crystal Structure ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Title Compound ◽  
Chair Conformation ◽  
Hirshfeld Surface ◽  
Piperidine Ring ◽  
Supramolecular Network ◽  
Compound C ◽  
The Mean

The title compound, C13H16ClNO, contains a methylpiperidine ring in the stable chair conformation. The mean plane of the twisted piperidine ring subtends a dihedral angle of 39.89 (7)° with that of the benzene ring. In the crystal, weak C—H...O interactions link the molecules along the a-axis direction to form infinite molecular chains. H...H interatomic interactions, C—H...O intermolecular interactions and weak dispersive forces stabilize molecular packing and form a supramolecular network, as established by Hirshfeld surface analysis.

scholarly journals Crystal structure of 1-[2,4-bis(4-methoxyphenyl)-3-azabicyclo[3.3.1]nonan-3-yl]ethanone

2014 ◽  
Vol 70 (11) ◽  
pp. o1171-o1172 ◽  
Author(s):  
V. Shreevidhyaa Suressh ◽  
S. Sathya ◽  
A. Akila ◽  
S. Ponnuswamy ◽  
G. Usha
Keyword(s):  
Crystal Structure ◽  
Dihedral Angle ◽  
Title Compound ◽  
Chair Conformation ◽  
Cyclohexane Ring ◽  
Piperidine Ring ◽  
Dihedral Angles ◽  
Π Interactions ◽  
Compound C

In the title compound, C24H29NO3, the azabicycle contains two six-membered rings,viz.a cyclohexane ring and a piperidine ring. The first adopts a chair conformation and the second a half-chair conformation. The dihedral angle between their mean planes is 86.21 (13)°, indicating that they are almost perpendicular to one another. The dihedral angle between the planes of the 4-methoxyphenyl rings is 17.51 (13)°, and they make dihedral angles of 81.9 (3) and 81.3 (3)° with the ethan-1-one group. In the crystal, molecules are linked by C—H...π interactions forming chains along [10-1].

scholarly journals 1,1′,2,2′-Tetramethyl-3,3′-(4-methoxybenzylidene)di-1H-indole

2009 ◽  
Vol 65 (6) ◽  
pp. o1332-o1332
Author(s):  
Cai-Li Zhang ◽  
Ping-Ping Ye ◽  
Zhi-Qiang Du
Keyword(s):  
Molecular Structure ◽  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Title Compound ◽  
Dihedral Angles ◽  
Indole Ring ◽  
Ring Systems ◽  
Compound C

The title compound, C28H28N2O, was prepared by condensation of 1,2-bimethylindole and 4-methoxybenzaldehyde. In the molecular structure, the plane of the non-fused benzene ring is twisted with respect to the planes of the two indole ring systems, exhibiting dihedral angles of 72.04 (7) and 72.24 (7)°, while the planes of the two indole ring systems are oriented at a dihedral angle of 87.05 (5)°. Neither hydrogen bonding nor π–π stacking is observed in the crystal structure.

scholarly journals (2Z)-2-Benzylidene-4-n-butyl-3,4-dihydro-2H-1,4-benzothiazin-3-one

2014 ◽  
Vol 70 (6) ◽  
pp. o686-o686 ◽  
Author(s):  
Nada Kheira Sebbar ◽  
Mohammed El Fal ◽  
El Mokhtar Essassi ◽  
Mohamed Saadi ◽  
Lahcen El Ammari
Keyword(s):  
Benzene Ring ◽  
Dihedral Angle ◽  
Title Compound ◽  
Phenyl Ring ◽  
Heterocyclic Ring ◽  
Boat Conformation ◽  
Compound C ◽  
The Mean ◽  
Supramolecular Chains

In the title compound, C19H19NOS, the six-membered heterocyclic ring of the benzothiazine fragment exhibits a screw boat conformation. The plane of the fused benzene ring makes a dihedral angle of 72.38 (12)° with that of the terminal phenyl ring, and is nearly perpendicular to the mean plane formed by the atoms through then-butyl chain, as indicated by the dihedral angle of 88.1 (2)°. In the crystal, molecules are linked by C—H...O interactions to form supramolecular chains along [110].

scholarly journals N-(2-Fluorobenzyloxy)-1,3,5-trimethyl-2,6-diphenylpiperidin-4-imine

2012 ◽  
Vol 68 (8) ◽  
pp. o2312-o2313
Author(s):  
Chennan Ramalingan ◽  
Seik Weng Ng ◽  
Edward R. T. Tiekink
Keyword(s):  
Dihedral Angle ◽  
Torsion Angle ◽  
Title Compound ◽  
Three Dimensional ◽  
Piperidine Ring ◽  
Dihedral Angles ◽  
Boat Conformation ◽  
Compound C ◽  
Phenyl Rings ◽  
Twisted Boat

In the title compound, C27H29FN2O, the piperidine ring has a twisted boat conformation and all ring substituents occupy equatorial positions. The dihedral angle formed between the phenyl rings is 66.71 (12)°, and the phenyl rings form dihedral angles of 46.60 (13) and 43.75 (13)° with the fluorobenzene ring, which occupies a position coplanar to the methoxy(methylidene)amine residue [N—O—C—C torsion angle = −179.5 (2)°]. In the crystal, a complex network of C—H...π interactions connects the molecules into a three-dimensional architecture.

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