scholarly journals Crystal structure of (4Z)-4-[(2E)-1-hydroxy-3-(naphthalen-2-yl)prop-2-en-1-ylidene]-3-methyl-1-phenyl-1H-pyrazol-5(4H)-one

2015 ◽  
Vol 71 (6) ◽  
pp. o381-o381
Author(s):  
Muhammad Salim ◽  
Munawar Ali Munawar ◽  
Muhammad Nawaz Tahir ◽  
Muhammad Shahid ◽  
Khizar Iqbal Malik
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Title Compound ◽  
Pyrazole Ring ◽  
Ring System ◽  
Dihedral Angles ◽  
Stacking Interactions ◽  
Naphthalene Ring ◽  
Compound C

In the title compound, C23H18N2O2, the pyrazole ring subtends dihedral angles of 2.01 (13) and 1.55 (10)° with the pendant benzene ring and the naphthalene ring system, respectively. The molecule is almost planar (r.m.s. deviation for the 27 non-H atoms = 0.025 Å) and intramolecular O—H...O and C—H...O hydrogen bonds both closeS(6) loops. In the crystal, very weak aromatic π–π stacking interactions between the benzene and the pyrazole rings, with centroid–centroid distances of 3.8913 (14) and 3.9285 (15) Å, are observed.

scholarly journals Crystal structure of 2-(4-fluoro-3-methylphenyl)-5-{[(naphthalen-1-yl)oxy]methyl}-1,3,4-oxadiazole

2015 ◽  
Vol 71 (4) ◽  
pp. o229-o230
Author(s):  
Muniyappan Govindhan ◽  
Kathavarayan Subramanian ◽  
Vijayan Viswanathan ◽  
Devadasan Velmurugan
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Title Compound ◽  
Ring System ◽  
Dihedral Angles ◽  
Naphthalene Ring ◽  
Π Interactions ◽  
Compound C ◽  
Planar Conformation

The title compound, C20H15FN2O2, adopts an almost planar conformation. The oxadiazole ring makes dihedral angles of 13.90 (1) and 7.93 (1)° with the naphthalene ring system and benzene ring, respectively, while the naphthalene ring system and benzene ring are inclined to one another by 6.35 (1)°. In the crystal, adjacent molecules are linkedviaC—H...N hydrogen bonds, forming chains propagating along [100]. There are also π–π interactions present [intercentroid distances = 3.5754 (9) and 3.7191 (12) Å], linking the chains to form ribbons lying parallel to (011).

scholarly journals Crystal structure of (E)-N-[(2-methoxynaphthalen-1-yl)methylidene]-3-nitroaniline

2015 ◽  
Vol 71 (12) ◽  
pp. o941-o942
Author(s):  
Devika Bhai R. ◽  
C. R. Girija ◽  
Shalini Suresh ◽  
Ramakrishna Reddy
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Nitro Group ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Title Compound ◽  
Ring System ◽  
Stacking Interactions ◽  
Naphthalene Ring ◽  
Compound C

In the title compound, C18H14N2O3, the dihedral angle between the naphthalene ring system and the benzene ring is 59.99 (13)°. A short intramolecular C—H...N contact closes anS(6) ring. The nitro group is disordered over two orientations in a statistical ratio. In the crystal, weak C—H...O hydrogen bonds and very weak π–π stacking interactions [centroid–centroid separation = 3.9168 (17) Å] are observed.

scholarly journals Crystal structure of 2-{[1-(4-bromobenzyl)-1H-1,2,3-triazol-4-yl]methoxy}naphthalene-1,4-dione

2015 ◽  
Vol 71 (4) ◽  
pp. o231-o232 ◽  
Author(s):  
Rajamani Raja ◽  
Subramani Kandhasamy ◽  
Paramasivam T. Perumal ◽  
A. SubbiahPandi
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Triazole Ring ◽  
Ring System ◽  
Dihedral Angles ◽  
Stacking Interactions ◽  
Naphthalene Ring ◽  
Compound C ◽  
Centroid Distance

In the title compound, C20H14BrN3O3, the benzene ring makes dihedral angles of 71.30 (11) and 68.95 (14)° with the naphthalene ring system and the triazole ring, respectively. The latter two ring systems are coplanar, with a dihedral angle of 2.92 (12)°. The O atoms deviate from the naphthalene ring system by 0.029 (2) and −0.051 (2) Å. In the crystal, molecules are linked by C—H...O and C—H...N hydrogen bonds, forming ribbons parallel to (10-1). The ribbons are linkedviaC—H...O and π–π stacking interactions [centroid–centroid distance = 3.4451 (14) Å], forming slabs parallel to thebcplane.

scholarly journals 3-(4-Chlorophenyl)-5-[4-(methylsulfanyl)phenyl]-1H-pyrazole

IUCrData ◽  
2016 ◽  
Vol 1 (4) ◽  
Author(s):  
Ganesan Suresh ◽  
Sarangapani Muniraj
Keyword(s):  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Title Compound ◽  
Three Dimensional ◽  
Pyrazole Ring ◽  
Dihedral Angles ◽  
Stacking Interactions ◽  
Compound C ◽  
Π Stacking ◽  
Dimensional Network

In the title compound, C16H13ClN2S, the pyrazole ring is almost planar with an r.m.s. deviation of 0.0457 Å which forms dihedral angles of 2.875 (4) and 84.83 (7)° with the chloro-substituted benzene ring and the methylsulfanyl-substituted ring, respectively. In the crystal, N—H...N and C—H...Cl hydrogen bonds contribute to the formation of a three-dimensional network. In addition, several offset π–π stacking interactions are also present.

scholarly journals Crystal structure of 4-(2-azidophenyl)-5-benzoyl-2-(1H-indol-3-yl)-1H-pyrrole-3-carbonitrile

2015 ◽  
Vol 71 (5) ◽  
pp. o335-o336 ◽  
Author(s):  
G. Vimala ◽  
J. Kamal Raja ◽  
Y. Amina Naaz ◽  
P. T. Preumal ◽  
A. SubbiahPandi
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Title Compound ◽  
Pyrrole Ring ◽  
Ring System ◽  
Dihedral Angles ◽  
Indole Ring ◽  
Azide Group ◽  
Compound C

In the title compound, C26H16N6O, the dihedral angles between the central pyrrole ring and the pendant indole ring system (r.m.s. deviation = 0.027 Å) and the azide-bearing benzene ring are 37.56 (8) and 51.62 (11)°, respectively. The azide group is almost coplanar with its attached benzene ring [C—C—N—N = 3.8 (3)°]. The benzoyl benzene ring is disordered over two orientations twisted with respect to each other by 9.29 (8)° in a 0.514 (2):0.486 (2) ratio. In the crystal, inversion dimers linked by pairs of Np—H...O (p = pyrrole) hydrogen bonds generateR22(10) loops. A second inversion dimer arises from a pair of Ni—H...Nc(i = indole and c = cyanide) hydrogen bonds, which generates anR22(16) loop. Together, the hydrogen bonds lead to [011] chains in the crystal.

scholarly journals Crystal structure of 2-{[(naphthalen-1-yl)oxy]methyl}-5-(2,4,5-trifluorophenyl)-1,3,4-oxadiazole

2015 ◽  
Vol 71 (3) ◽  
pp. o190-o191
Author(s):  
Muniyappan Govindhan ◽  
Kathavarayan Subramanian ◽  
Vijayan Viswanathan ◽  
Devadasan Velmurugan
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Ring System ◽  
Dihedral Angles ◽  
Naphthalene Ring ◽  
Axis Direction ◽  
Compound C

In the title compound C19H11F3N2O2, the oxadiazole ring and the naphthalene ring system are approximately planar (r.m.s. deviations of 0.001 and 0.020 Å, respectively) and the oxadiazole ring makes dihedral angles of 13.11 (1) and 7.59 (1)° with the naphthalene ring system and the trifluorophenyl ring, respectively. In the crystal, C—H...N hydrogen bonds link molecules into chains along thea-axis direction, while C—H...F contacts form additional chains along theacdiagonal. These contacts generate sheets of molecules approximately parallel to the (011) plane.

scholarly journals Crystal structure of 2,9-diphenyl-17λ6-thiatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene-17,17-dione

2014 ◽  
Vol 70 (9) ◽  
pp. o1013-o1014
Author(s):  
S. Gopinath ◽  
P. Narayanan ◽  
K. Sethusankar ◽  
Meganathan Nandakumar ◽  
Arasambattu K. Mohanakrishnan
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Three Dimensional ◽  
Ring System ◽  
Dimensional Structure ◽  
Dihedral Angles ◽  
Naphthalene Ring ◽  
Compound C ◽  
Phenyl Rings

The title compound, C28H18O2S, is composed of a naphthalene ring system fused with a benzothiophene ring and attached to two phenyl rings. The phenyl rings make dihedral angles of 70.92 (8) and 79.23 (8)° with the essentially planar naphthalene ring system (r.m.s. deviation = 0.031 Å). There is an intramolecular C—H...π interaction present. In the crystal, molecules are linked by C—H...O hydrogen bonds which generateC(7) zigzag chains running parallel to [10-1]. The chains are linkedviafurther C—H...π interactions, forming a three-dimensional structure.

scholarly journals Crystal structure of 1,2-bis(4-fluorophenyl)-1-hydroxy-2,3,8-trimethoxyacenaphthene: formation of a five-membered intramolecular O—H...O hydrogen-bonded ring

2021 ◽  
Vol 77 (2) ◽  
pp. 175-179
Author(s):  
Hiroaki Iitsuka ◽  
Kun Li ◽  
Miyuki Kobayashi ◽  
Kikuko Iida ◽  
Noriyuki Yonezawa ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Ring System ◽  
Dihedral Angles ◽  
Naphthalene Ring ◽  
Compound C ◽  
Methoxy Groups ◽  
Dimeric Aggregates ◽  
Hydrogen Bonded

The structure of the title compound, C27H22F2O4, at 193 K has triclinic (P\overline{1}) symmetry. The hydroxy and methoxy groups at the 1,2-positions of the acenaphthene core display a cis configuration. Both substituents are involved in the formation of a five-membered intramolecular O—H...O hydrogen-bonded ring. The 4-fluorophenyl rings make dihedral angles of 87.02 (7) and 51.86 (8)° with the naphthalene ring system. In the crystal, a pair of non-classical C—H...O hydrogen bonds forms centrosymmetric dimeric structures. The dimeric aggregates are linked in the ac plane through non-classical C—H...F hydrogen bonds and C—H...π interactions.

scholarly journals Crystal structure of (E)-3-(2,4-dimethoxyphenyl)-1-(1-hydroxynaphthalen-2-yl)prop-2-en-1-one

2014 ◽  
Vol 70 (9) ◽  
pp. o1034-o1035 ◽  
Author(s):  
Dongsoo Koh
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Title Compound ◽  
Ring System ◽  
Naphthalene Ring ◽  
Torsion Angles ◽  
Compound C ◽  
Methoxy Groups

In the title compound, C21H18O4, the C=C bond of the central enone group adopts anEconformation. The dihedral angle formed by the benzene ring and the naphthalene ring system is 6.60 (2)°. The methoxy groups on the benzene ring are essentially coplanar with the ring; the C—C—O—C torsion angles being 1.6 (2) and −177.1 (1)°. The hydroxy group attached to the naphthalene ring is involved in an intramolecular O—H...O hydrogen bond. The relative conformation of the two double bonds in the enone group iss-cisoid. In the crystal, weak C—H...O hydrogen bonds link the molecules into chains propagating along [010].

scholarly journals Crystal structure and Hirshfeld surface analysis of 4-allyl-6-bromo-2-(4-chlorophenyl)-4H-imidazo[4,5-b]pyridine

2019 ◽  
Vol 75 (1) ◽  
pp. 43-48
Author(s):  
Selma Bourichi ◽  
Youssef Kandri Rodi ◽  
Tuncer Hökelek ◽  
Amal Haoudi ◽  
Catherine Renard ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Title Compound ◽  
Pyridine Ring ◽  
Ring System ◽  
Hirshfeld Surface ◽  
Stacking Interactions ◽  
Compound C ◽  
Ring Motif

The title compound, C15H11BrClN3, is built up from a planar imidazo[4,5-b]pyridine unit linked to phenyl and allyl substituents. The allyl substituent is rotated significantly out of the imidazo[4,5-b]pyridine plane, while the benzene ring is inclined by 3.84 (6)° to the ring system. In the crystal, molecules are linked via a pair of weak intermolecular C—H...N hydrogen bonds, forming an inversion dimer with an R 2 2(20) ring motif. The dimers are further connected by π–π stacking interactions between the imidazo[4,5-b]pyridine ring systems [centroid–centroid distances = 3.7161 (13) and 3.8478 (13) Å]. The important contributions to the Hirshfeld surface are H...H (35.9%), H...Cl/Cl...H (15.0%), H...C/C...H (12.4%), H...Br/Br...H (10.8%), H...N/N...H (7.5%), C...Br/Br...C (5.9%), C...C (5.5%) and C...N/N...C (4.0%) contacts.

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