scholarly journals Crystal structure of 6-(p-tolyl)benzo[b]naphtho[2,3-d]thiophene and of an orthorhombic polymorph of 7-phenylanthra[2,3-b]benzo[d]thiophene

2016 ◽  
Vol 72 (9) ◽  
pp. 1310-1314 ◽  
Author(s):  
S. Gopinath ◽  
K. Sethusankar ◽  
Helen Stoeckli-Evans ◽  
Muhamad Rafiq ◽  
Arasambattu K. Mohanakrishnan
Keyword(s):  
Crystal Structure ◽  
Dihedral Angle ◽  
Phenyl Ring ◽  
Ring System ◽  
Naphthalene Ring ◽  
Π Interactions ◽  
Ring Substituent ◽  
The Mean ◽  
Compound Ii

The title compounds, C23H16S, (I), and C26H16S, (II), are benzothiophene derivatives in which the benzothiophene moiety is fused with a naphthalene ring system in (I), and with an anthracene ring system in (II). In (I), the mean plane of the benzothiophene ring system makes a dihedral angle of 2.28 (6)° with the naphthalene ring system, and a dihedral angle of 1.28 (6)° with the anthracene ring system in (II), showing that the fused units are essentially planar. In (I), the 4-methylbenzene ring substituent makes a dihedral angle of 71.40 (9)° with the naphthalene ring system, while the phenyl ring substituent in (II) makes a dihedral angle of 67.08 (12)° with the anthracene ring system. In the crystals of both compounds, molecules are linked by C—H...π interactions, leading to the formation of slabs parallel to (001) in (I) and to zigzag chains along [001] in (II). There are also offset π–π interactions present within the slabs in (I). In the crystal of (II), they link the chains, forming sheets parallel to (010). The triclinic polymorph of compound (II) has been reported [Sivasakthikumaranet al., (2012).J. Org. Chem.77, 9053–9071].

scholarly journals 9-O-Butylberberrubinium bromide

2009 ◽  
Vol 65 (6) ◽  
pp. o1370-o1370 ◽  
Author(s):  
Zhu Chen ◽  
Xue-Gang Li ◽  
Yong-Sheng Xie ◽  
Xiao-Li Ye
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Phenyl Ring ◽  
Crystal Packing ◽  
Ring System ◽  
Naphthalene Ring ◽  
Π Interactions ◽  
Compound C

In the title compound, C23H24NO4+·Br−, the butyl chain is disordered between two conformations; the occupancies refined to 0.735 (7) and 0.265 (7). The dihedral angle between the naphthalene ring system and the phenyl ring is 11.6 (2)°. In the crystal structure, the cations are packedviaπ–π interactions into stacks propagating in the [010] direction. Weak intermolecular C—H...O and C—H...Br hydrogen bonds contribute further to the crystal packing stability.

scholarly journals Crystal structure of cyprodinil

2015 ◽  
Vol 71 (1) ◽  
pp. o5-o5 ◽  
Author(s):  
Youngeun Jeon ◽  
Gihaeng Kang ◽  
Seonghwa Cho ◽  
Tae Ho Kim
Keyword(s):  
Crystal Structure ◽  
Title Compound ◽  
Phenyl Ring ◽  
Cyclopropane Ring ◽  
Pyrimidine Ring ◽  
Ring System ◽  
Dihedral Angles ◽  
Π Interactions ◽  
Compound C ◽  
The Mean

In the title compound, C14H15N3(systematic name: 4-cyclopropyl-6-methyl-N-phenylpyrimidin-2-amine), which is the anilinopyrimidine fungicide cyprodinil, the dihedral angles between the planes of the central pyrimidine ring and the terminal phenyl ring and the mean plane of the cyclopropane ring system are 14.52 (11) and 88.79 (10)°, respectively. In the crystal, weak π–π interactions [3.8551 (11) Å] connect the dimers into chains along theb-axis direction.

7,7a-Dihydroisoindolo[2,1-a]pyrimidin-12-one

2006 ◽  
Vol 62 (7) ◽  
pp. o2929-o2931
Author(s):  
Mustafa Odabaşoğlu ◽  
Orhan Büyükgüngör
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Ring System ◽  
Naphthalene Ring ◽  
Π Interactions ◽  
Compound C

The crystal structure of the title compound, C18H12N2O, is stabilized by intermolecular N—H...O hydrogen bonds and C—H...π interactions. N—H...O hydrogen bonds generate a C(6) chain. The dihedral angle between the isoindoline group and the naphthalene ring system is 24.96 (12)°.

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 Crystal structure of 4-[(2,4-dichlorophenyl)(5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)methyl]-5-methyl-2-phenyl-2,3-dihydro-1H-pyrazol-3-one

2015 ◽  
Vol 71 (10) ◽  
pp. o805-o806 ◽  
Author(s):  
Balbir Kumar ◽  
Hitesh Mahajan ◽  
Satya Paul ◽  
Rajni Kant ◽  
Vivek K. Gupta
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Phenyl Ring ◽  
Ring System ◽  
Π Interactions ◽  
Compound C

In the title compound C27H22Cl2N4O2, the pyrazol-5-ol ring makes a dihedral angle of 34.80 (11)° with the phenyl ring to which it is bound, while the pyrazolone ring is inclined at 34.34 (12)° to its attached phenyl ring. In the crystal, N—H...O and C—H...Cl hydrogen bonds link the molecules into chains along [010]. Intermolecular π–π interactions are observed between the pyrazolone ring and the phenyl ring bound to the pyrazol-5-ol ring system [centroid–centroid separation = 3.916 (2) Å].

scholarly journals Crystal structure of 3-(4-methoxyphenyl)-2,3-dihydro-1H-naphtho[2,1-b]pyran-1-one

2015 ◽  
Vol 71 (5) ◽  
pp. o332-o332
Author(s):  
R. Vasanthi ◽  
D. Reuben Jonathan ◽  
K. S. Elizhlarasi ◽  
B. K. Revathi ◽  
G. Usha
Keyword(s):  
Crystal Structure ◽  
Dihedral Angle ◽  
Title Compound ◽  
Phenyl Ring ◽  
Chair Conformation ◽  
Ring System ◽  
The Other ◽  
Naphthalene Ring ◽  
Compound C ◽  
Van Der Waals Contacts

In the title compound, C20H16O3, the hydropyran ring adopts a distorted half-chair conformation with the methine C atom and the ring O atom displaced by −0.554 (2) and 0.158 (1) Å, respectively, from the plane of the other four atoms (r.m.s. deviation = 0.020 Å). Its mean plane (all atoms) is inclined to the naphthalene ring system at a dihedral angle of 11.67 (1)°. The dihedral angle between the napthalene ring system and the phenyl ring is 71.84 (1)°. In the crystal, no diectional interactions beyond van der Waals contacts could be identified.

scholarly journals Crystal structure of benzyl 2-naphthyl ether, a sensitiser for thermal paper

2019 ◽  
Vol 75 (2) ◽  
pp. 242-245
Author(s):  
Takuya Kikuchi ◽  
Saori Gontani ◽  
Kyohei Miyanaga ◽  
Takaaki Kurata ◽  
Yoshiki Akatani ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Dihedral Angle ◽  
Title Compound ◽  
Phenyl Ring ◽  
Ring System ◽  
Π Interactions ◽  
Molecular Arrangement ◽  
Naphthyl Ring ◽  
Thermal Paper

The title compound [systematic name: 2-(benzyloxy)naphthalene], C17H14O, which is used as a sensitiser for thermal paper, has a twisted conformation with a dihedral angle of 48.71 (12)° between the phenyl ring and the naphthyl ring system. In the crystal, one molecule interacts with six neighbouring molecules via intermolecular C—H...π interactions to form a herringbone molecular arrangement.

scholarly journals Crystal structure of (E)-diethyl 2-[(1-phenylsulfonyl-1H-indol-3-yl)methylidene]succinate

2015 ◽  
Vol 71 (12) ◽  
pp. o1029-o1030
Author(s):  
M. Umadevi ◽  
Potharaju Raju ◽  
R. Yamuna ◽  
Arasambattu K. Mohanakrishnan ◽  
G. Chakkaravarthi
Keyword(s):  
Crystal Structure ◽  
Dihedral Angle ◽  
Title Compound ◽  
Phenyl Ring ◽  
Molecular Conformation ◽  
Ring System ◽  
Indole Ring ◽  
Π Interactions ◽  
Compound C ◽  
Graph Set

In the title compound, C23H23NO6S, the phenyl ring is perpendicular [dihedral angle = 89.34 (9)°] to the indole ring system. In the molecule, the ethoxy groups are each disordered over two sets of sites with occupancy ratios of 0.671 (6):0.329 (6) and 0.75 (3):0.25 (3). The molecular conformation is consolidated by a weak C—H...O interaction, which generates anS(6) graph–set motif. The packing of the molecules in the crystal structure features weak C—H...π interactions.

scholarly journals Crystal structure ofN-[(2-hydroxynaphthalen-1-yl)(4-methylphenyl)methyl]acetamide

2015 ◽  
Vol 71 (4) ◽  
pp. o235-o235 ◽  
Author(s):  
Sharanbasappa Khanapure ◽  
Gajanan Rashinkar ◽  
Tarulata Chhowala ◽  
Sumati Anthal ◽  
Rajni Kant
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Ring System ◽  
Naphthalene Ring ◽  
Π Interactions ◽  
Title Molecule

In the title molecule, C20H19NO2, the naphthalene ring system subtends a dihedral angle of 82.50 (7)° with the benzene ring and an intramolecular N—H...O hydrogen bond closes anS(6) ring. In the crystal, molecules are linked by O—H...O hydrogen bonds, which generateC(8) chains propagating in the [010] direction. The crystal structure also features weak π–π interactions [centroid–centroid separation = 3.7246 (10) Å].

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

2015 ◽  
Vol 71 (3) ◽  
pp. 261-263 ◽  
Author(s):  
Md. Serajul Haque Faizi ◽  
Elena V. Prisyazhnaya
Keyword(s):  
Crystal Structure ◽  
Title Compound ◽  
Phenyl Ring ◽  
Ring System ◽  
Dihedral Angles ◽  
Π Interactions ◽  
Compound C ◽  
The Mean

In the title compound, C29H20N2, the dihedral angles subtended by the centralp-phenylenediamine ring with respect to the mean plane of the terminal pyrenyl ring system (r.m.s. deviation = 0.027 Å) and the terminalN-phenyl ring are 29.34 (4) and 43.43 (7)°, respectively. The conformation about the C=N bond isE. In the crystal, molecules are linked by N—H...π and C—H...π interactions forming chains propagating along the [10-2] direction. These chains are linkedviaπ–π interactions [inter-centroid distances are in the range 3.5569 (11)–3.708 (1) Å], forming slabs lying parallel to (30-4).

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