scholarly journals 2-Amino-4-(4-chlorophenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile propan-2-one monosolvate

2012 ◽  
Vol 68 (6) ◽  
pp. o1965-o1966 ◽  
Author(s):  
Shaaban K. Mohamed ◽  
Mehmet Akkurt ◽  
Muhammad N. Tahir ◽  
Antar A. Abdelhamid ◽  
Mustafa R. Albayati
Keyword(s):  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Layer Structure ◽  
Maximum Deviation ◽  
Pyran Ring ◽  
Compound C ◽  
Cyclohexene Ring ◽  
The Mean ◽  
Graph Set ◽  
Puckering Parameters

In the title compound, C18H17ClN2O2·C3H6O, the 4H-pyran ring is nearly planar [maximum deviation = −0.108 (1) Å] and the cyclohexene ring is puckered [puckering parameters Q T = 0.4596 (17) Å, θ = 55.9 (2)° and φ = 226.5 (3)°]. The 4H-pyran ring is approximately perpendicular to the benzene ring [dihedral angle = 84.35 (7)°] and is almost coplanar with the mean plane of the cyclohexene ring [dihedral angle = 8.64 (7)°]. In the crystal, inversion-related main molecules are linked into dimers by pairs of N—H...N hydrogen bonds, generating an R 2 2(12) graph-set motif. These dimers are further connected by N—H...O and C—H...N hydrogen bonds, forming a layer structure extending parallel to the (011) plane. In addition, the molecules within the layers interact with each other via C—H...π interactions.

scholarly journals 2-Amino-4-(4-methylphenyl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile

2012 ◽  
Vol 68 (8) ◽  
pp. o2315-o2316 ◽  
Author(s):  
Shaaban K. Mohamed ◽  
Mehmet Akkurt ◽  
Muhammad N. Tahir ◽  
Antar A. Abdelhamid ◽  
Mustafa R. Albayati
Keyword(s):  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Layer Structure ◽  
Chair Conformation ◽  
Maximum Deviation ◽  
Pyran Ring ◽  
Compound C ◽  
Cyclohexene Ring ◽  
The Mean ◽  
Puckering Parameters

The 4H-pyran ring of the title compound, C17H16N2O2, is nearly planar [maximum deviation = 0.077 (2) Å] and the cyclohexene ring adopts a flattened chair conformation [puckering parameters:QT= 0.435 (2) Å, θ = 122.0 (3)° and φ = 53.5 (3)°]. The 4H-pyran ring is almost perpendicular to the benzene ring [dihedral angle = 87.23 (8)°] and is almost coplanar with the mean plane of the cyclohexene ring [dihedral angle = 8.01 (8)°]. In the crystal, inversion-related molecules are linked by pairs of intermolecular N—H...N hydrogen bonds, forming inversion dimers withR22(12) ring motifs. These dimers are further connected by N—H...O and C—H...N hydrogen bonds, forming a layer structure extending parallel to (0-12). Molecules within the layers interact with each otherviaC—H...π interactions.

scholarly journals 9-Fluoro-2,4,4a,6-tetrahydrospiro[benzo[c]chromene-3,2′-[1,3]dioxolane]

IUCrData ◽  
2017 ◽  
Vol 2 (1) ◽  
Author(s):  
I. Ayswariya ◽  
P. Rajalakshmi ◽  
R.V. Krishnakumar ◽  
N. Srinivasan
Keyword(s):  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Chair Conformation ◽  
Ring System ◽  
Pyran Ring ◽  
Compound C ◽  
Cyclohexene Ring ◽  
The Mean ◽  
Chromene Ring

In the title compound, C15H15FO3, the dihedral angle between the mean plane through all the non-H atoms of the dioxolane ring with those of the rest of the atoms of the chromene ring system, including the substituent F atom, is 81.1 (1)°. The pyran ring has an envelope conformation with the O atom as the flap. The cyclohexene ring has a half-chair conformation, while the dioxolane ring has a twisted conformation on an –O—CH2– bond. In the crystal, molecules are linkedviaC—H...O hydrogen bonds, forming chains along [100]. The chains are linked by C—H...π interactions, involving the fluorobenzene ring, forming layers parallel to theacplane.

scholarly journals 9-(2,4-Dinitrophenyl)-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione

2013 ◽  
Vol 69 (2) ◽  
pp. o281-o281 ◽  
Author(s):  
N. Sureshbabu ◽  
V. Sughanya
Keyword(s):  
Dihedral Angle ◽  
Title Compound ◽  
Maximum Deviation ◽  
Boat Conformation ◽  
Pyran Ring ◽  
Compound C ◽  
The Mean

In the title compound, C23H24N2O7, the central 4H-pyran ring adopts a flattened boat conformation, whereas both cyclohexenone rings adopt envelope conformations, the C atom bearing the dimethyl substituent being the flap atom in each case. The mean and maximum deviation of the pyran ring are 0.0379 (4) and 0.0605 (3) Å. The mean plane of the pyran ring and the dinitrobenzene ring make a dihedral angle of 85.88 (2)°.

scholarly journals Crystal structure of 4-allylsulfanyl-1H-pyrazolo[3,4-d]pyrimidine

2014 ◽  
Vol 70 (9) ◽  
pp. o1038-o1038 ◽  
Author(s):  
Mohammed El Fal ◽  
Youssef Ramli ◽  
El Mokhtar Essassi ◽  
Mohamed Saadi ◽  
Lahcen El Ammari
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Pyrimidine Ring ◽  
Ring System ◽  
Maximum Deviation ◽  
Compound C ◽  
The Mean ◽  
Graph Set

In the title compound, C8H8N4S, the pyrazolo[3,4-d]pyrimidine ring system is essentially planar, with a maximum deviation from the mean plane of 0.025 (3) Å. The allyl group is disordered over two sites in a 0.512 (6):0.488 (6) ratio. In the crystal, molecules are linked by pairs of N—H...N hydrogen bonds, forming inversion dimers with anR22(8) graph-set motif.

scholarly journals Crystal structure of 3-amino-1-(4-hydroxyphenyl)-1H-benzo[f]chromene-2-carbonitrile

2015 ◽  
Vol 71 (8) ◽  
pp. o536-o537
Author(s):  
Mehmet Akkurt ◽  
Peter N. Horton ◽  
Sabry H. H. Younes ◽  
Shaaban K. Mohamed ◽  
Mustafa R. Albayati
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Ring System ◽  
Boat Conformation ◽  
Naphthalene Ring ◽  
Pyran Ring ◽  
Compound C ◽  
The Mean

In the title compound, C20H14N2O2, the hydroxybenzene ring is almost perpendicular to the mean plane of the naphthalene ring system, making a dihedral angle of 85.56 (4)°. The 4H-pyran ring fused with the naphthalene ring system has a flattened boat conformation. In the crystal, O—H...N and N—H...O hydrogen bonds link the molecules into a supramolecular layer in thebcplane; N—H...π interactions also contribute to this arrangement. The layers are linked by weak by C—H...π and π–π [inter-centroid separation = 3.8713 (7) Å] interactions.

scholarly journals 8,8-Dimethyl-8,9-dihydro-7H-chromeno[2,3-b]quinoline-10,12-dione

2013 ◽  
Vol 69 (2) ◽  
pp. o254-o254
Author(s):  
Thothadri Srinivasan ◽  
Panneerselvam Yuvaraj ◽  
Boreddy S. R. Reddy ◽  
Devadasan Velmurugan
Keyword(s):  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Maximum Deviation ◽  
Envelope Conformation ◽  
Compound C ◽  
The Mean

In the title compound, C18H15NO3, the fused benzopyran and pyridine rings are essentially coplanar [r.m.s. deviation = 0.0533 Å with a maximum deviation of 0.080 (1) Å for a benzene C atom]. The cyclohexanone ring adopts an envelope conformation with the dimethyl-substituted C atom 0.660 (2) Å out of the plane formed by the remaining ring atoms (r.m.s. deviation = 0.0305 Å). The dihedral angle between the mean planes of the pyran and cyclohexanone rings is 12.95 (6)°. In the crystal, molecules are linkedviaC—H...O hydrogen bonds, leading to chains running along [011].

scholarly journals 7-Bromo-9-(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)-3,3-dimethyl-2,3,4,9-tetrahydro-1H-xanthen-1-one

2012 ◽  
Vol 68 (6) ◽  
pp. o1710-o1710 ◽  
Author(s):  
Shaaban K. Mohamed ◽  
Mehmet Akkurt ◽  
Antar A. Abdelhamid ◽  
Phillip E. Fanwick ◽  
Herman Potgeiter
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Ring System ◽  
Maximum Deviation ◽  
Pyran Ring ◽  
Compound C ◽  
Cyclohexene Ring

In the xanthene ring system of the title compound, C23H25BrO4, the 4H-pyran ring is almost planar [maximum deviation = 0.040 (3) Å] and the cyclohexene ring adopts a sofa conformation. The cyclohexene ring attached to the xanthene system is puckered [Q T = 0.427 (3) Å, θ = 55.0 (4) ° and φ = 164.4 (6) °]. In the crystal, molecules are linked to each other by O—H...O and C—H...O hydrogen bonds.

scholarly journals Crystal structure of 3-amino-1-(4-methoxyphenyl)-1H-benzo[f]chromene-2-carbonitrile

2015 ◽  
Vol 71 (7) ◽  
pp. o468-o469
Author(s):  
Shaaban K. Mohamed ◽  
Peter N. Horton ◽  
Mehmet Akkurt ◽  
Sabry H. H. Younes ◽  
Mustafa R. Albayati
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Crystal Packing ◽  
Ring System ◽  
Maximum Deviation ◽  
Naphthalene Ring ◽  
Pyran Ring ◽  
Compound C ◽  
The Mean

In the title compound, C21H16N2O2, the methoxybenzene ring is almost perpendicular to the mean plane of the naphthalene ring system, making a dihedral angle of 83.62 (5)°. The 4H-pyran ring fused with the naphthalene ring system is almost planar [maximum deviation = 0.033 (1) Å]. In the crystal, molecules are linked into inversion dimers by pairs of N—H...N hydrogen bonds. N—H...O hydrogen bonds connect the dimers, forming a helical supramolecular chain along thea-axis direction. The crystal packing also features C—H...π interactions.

scholarly journals 2-[3-(1,3-Benzothiazol-2-yl)-2,2-dimethylpropyl]-2-methyl-2,3-dihydro-1,3-benzothiazole

2012 ◽  
Vol 68 (8) ◽  
pp. o2349-o2349
Author(s):  
Sammer Yousuf ◽  
Hina Siddiqui ◽  
Rabia Farooq ◽  
M. Iqbal Choudhary
Keyword(s):  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Title Compound ◽  
Ring System ◽  
Thiazole Ring ◽  
Maximum Deviation ◽  
Envelope Conformation ◽  
Compound C ◽  
Graph Set

In the title compound, C20H22N2S2, the five-membered thiazole ring of the 2-methyl-2,3-dihydro-1,3-benzothiazole unit has an envelope conformation. The dihedral angle between the planar [maximum deviation of 0.014 (1) Å for the S atom] benzothiazole ring system and the benzene ring is 78.37 (12)°. Two intramolecular C—H...S hydrogen bonds are observed, forming rings of graph-set motifS(6). In the crystal, the molecules are consolidated in pairs through N—H...N hydrogen bonds and are arranged parallel to thebaxis.

scholarly journals (4S)-3-Methyl-5,6,7,8-tetrahydro-4H-spiro[[1,2]oxazolo[5,4-b]quinoline-4,3′-indole]-2′,5-dione

2014 ◽  
Vol 70 (2) ◽  
pp. o168-o168 ◽  
Author(s):  
E. Govindan ◽  
P. S. Yuvaraj ◽  
B. S. R. Reddy ◽  
S. Bangaru Sudarsan Alwar ◽  
A. SubbiahPandi
Keyword(s):  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Ring System ◽  
Quinoline Ring ◽  
Indole Ring ◽  
Envelope Conformation ◽  
Compound C ◽  
Cyclohexene Ring ◽  
The Mean

In the title compound, C18H15N3O3, the dihedral angle between the mean planes of the quinoline and indole ring systems [r.m.s. deviations = 0.189 (2) and 0.027 (2) Å, respectively] is 88.65 (5)°. The cyclohexene ring of the quinoline ring system adopts an envelope conformation with the central –CH2– C atom as the flap. In the crystal, molecules are linked by two pairs of N—H...O hydrogen bonds, forming inversion dimers, and enclosingR22(14) ring motifs. This arrangement results in the formation of chains propagating along [100].

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