scholarly journals 4-[(1-Benzyl-1H-1,2,3-triazol-4-yl)methyl]-2H-1,4-benzothiazin-3(4H)-one

2014 ◽  
Vol 70 (2) ◽  
pp. o160-o161 ◽  
Author(s):  
Nada Kheira Sebbar ◽  
Abdelfettah Zerzouf ◽  
El Mokhtar Essassi ◽  
Mohamed Saadi ◽  
Lahcen El Ammari
Keyword(s):  
Dihedral Angle ◽  
Title Compound ◽  
Three Dimensional ◽  
Triazole Ring ◽  
Dihedral Angles ◽  
Boat Conformation ◽  
Compound C ◽  
Dimensional Network ◽  
Benzene Rings ◽  
Membered Heterocycle

In the title compound, C18H16N4OS, the six-membered heterocycle of the benzothiazine fragment exhibits a screw-boat conformation. The dihedral angles between the plane through the triazole ring and those through the fused and terminal benzene rings are 76.68 (11) and 71.0 (1)°, respectively; the benzene rings are nearly perpendicular [dihedral angle = 79.6 (1)°]. In the crystal, molecules are linked by C—H...N and C—H...O interactions, forming a three-dimensional network.

scholarly journals 5-[(1-Benzyl-1H-1,2,3-triazol-4-yl)methyl]-5H-dibenzo[b,f]azepine

2013 ◽  
Vol 69 (12) ◽  
pp. o1763-o1763 ◽  
Author(s):  
B. C. Manjunath ◽  
K. S. Vinay Kumar ◽  
S. Madan Kumar ◽  
M. P. Sadashiva ◽  
N. K. Lokanath
Keyword(s):  
Dihedral Angle ◽  
Phenyl Ring ◽  
Three Dimensional ◽  
Triazole Ring ◽  
Boat Conformation ◽  
Compound C ◽  
Dimensional Network ◽  
Centroid Distance ◽  
Benzene Rings ◽  
Normal Distance

In the title compound, C24H20N4, the azepine ring adopts a boat conformation. The dihedral angle between the benzene rings fused to the azepine ring is 49.40 (9)°. The triazole ring makes a dihedral angle of 77.88 (9)° with the terminal phenyl ring. In the crystal, molecules are linkedviaC—H...π interactions and a parallel slipped π–π interaction [centroid–centroid distance = 3.7324 (9), normal distance = 3.4060 (6) and slippage = 1.526 Å], forming a three-dimensional network.

scholarly journals 5-{[1-(2,4-Dichlorophenyl)-1H-1,2,3-triazol-4-yl]methyl}-5H-dibenz[b,f]azepine

IUCrData ◽  
2016 ◽  
Vol 1 (2) ◽  
Author(s):  
K. S. Vinay Kumar ◽  
Chandra ◽  
B. M. Rajesh ◽  
M. Mahendra ◽  
M. P. Sadashiva
Keyword(s):  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Triazole Ring ◽  
Dihedral Angles ◽  
Boat Conformation ◽  
Compound C ◽  
Benzene Rings

In the molecule of the title compound, C23H16Cl2N4, the dihedral angle between the benzene rings fused to the azepine ring is 52.00 (6)°. The plane of the triazole ring makes dihedral angles of 74.40 (5), 25.56 (8) and 44.78 (6)° with the planes of the benzene rings of the dibenzoazepine moiety and the dichlorophenyl ring, respectively. The azepine ring adopts a boat conformation. There are no classical hydrogen bonds in the crystal.

scholarly journals 2-(2,5-Dimethoxyphenyl)-N-[2-(4-hydroxyphenyl)ethyl]acetamide

2012 ◽  
Vol 68 (4) ◽  
pp. o966-o966 ◽  
Author(s):  
Hyeong Choi ◽  
Yong Suk Shim ◽  
Byung Hee Han ◽  
Sung Kwon Kang ◽  
Chang Keun Sung
Keyword(s):  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Three Dimensional ◽  
Dihedral Angles ◽  
Compound C ◽  
Dimensional Network ◽  
Benzene Rings

In the title compound, C18H21NO4, the dihedral angles between the acetamide group and the methoxy- and hydroxy-substitured benzene rings are 80.81 (5) and 8.19 (12)°, respectively. The benzene rings are twisted with respect to each other, making a dihedral angle of 72.89 (5)°. In the crystal, N—H...O and O—H...O hydrogen bonds link the molecules into a three-dimensional network.

scholarly journals Crystal structure of 5-[(4-carboxybenzyl)oxy]isophthalic acid

2016 ◽  
Vol 72 (8) ◽  
pp. 1219-1222
Author(s):  
Md. Serajul Haque Faizi ◽  
Musheer Ahmad ◽  
Akram Ali ◽  
Vadim A. Potaskalov
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Three Dimensional ◽  
Molecular Shape ◽  
Isophthalic Acid ◽  
Compound C ◽  
Dimensional Network ◽  
Benzene Rings

The molecular shape of the title compound, C16H12O7, is bent around the central CH2—O bond. The two benzene rings are almost perpendicular to one another, making a dihedral angle of 87.78 (7)°. In the crystal, each molecule is linked to three others by three pairs of O—H...O hydrogen bonds, forming undulating sheets parallel to thebcplane and enclosingR22(8) ring motifs. The sheets are linked by C—H...O hydrogen bonds and C—H...π interactions, forming a three-dimensional network.

scholarly journals (E)-N′-(4-Isopropylbenzylidene)isonicotinohydrazide monohydrate

2012 ◽  
Vol 68 (4) ◽  
pp. o1002-o1002 ◽  
Author(s):  
Mashooq A. Bhat ◽  
Hatem A. Abdel-Aziz ◽  
Hazem A. Ghabbour ◽  
Madhukar Hemamalini ◽  
Hoong-Kun Fun
Keyword(s):  
Double Bond ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Three Dimensional ◽  
Compound C ◽  
Dimensional Network ◽  
Benzene Rings

In the title compound, C16H17N3O·H2O, the isonicotinohydrazide molecule adopts anEconformation about the central C=N double bond. The dihedral angle between the pyridine and the benzene rings is 54.56 (15)°. In the crystal, molecules are connectedviaN—H...O, O—H...N and O—H...O hydrogen bonds, forming a three-dimensional network.

scholarly journals 4-(4-Fluorobenzenesulfonamido)phenyl 4-fluorobenzenesulfonate

2012 ◽  
Vol 68 (4) ◽  
pp. o1094-o1094
Author(s):  
Belal O. Al-Najjar ◽  
Tengku Sifzizul Tengku Muhammad ◽  
Habibah A. Wahab ◽  
Mohd Mustaqim Rosli ◽  
Hoong-Kun Fun
Keyword(s):  
Dihedral Angle ◽  
Title Compound ◽  
Three Dimensional ◽  
Central Ring ◽  
Compound C ◽  
Dimensional Network ◽  
Benzene Rings

In the title compound, C18H13F2NO5S2, the complete molecule is generated by a crystallographic inversion centre, and the O atom and the N—H group attached to the central ring are statistically disordered. The dihedral angle between the central and terminal benzene rings is 64.03 (6)°. In the crystal, N—H...O, C—H...F and C—H...O interactions link the molecules into a three-dimensional network.

4-(4-Chlorophenyl)-5-(4-methylphenyl)-3-(2-pyridyl)-4H-1,2,4-triazole

2006 ◽  
Vol 62 (4) ◽  
pp. o1279-o1280
Author(s):  
Shu-Ping Zhang ◽  
Zhao-Di Liu ◽  
Si-Chang Shao
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Triazole Ring ◽  
Dihedral Angles ◽  
Compound C ◽  
Benzene Rings

In the title compound, C20H15ClN4, the two benzene rings form dihedral angles of 30.95 (9) and 70.69 (6)° with the triazole ring, and the dihedral angle between the triazole and the pyridine rings is 43.38 (8)°. Intermolecular C—H...N hydrogen bonds are observed in the crystal structure.

scholarly journals 4-Hydroxymethyl-10-methoxy-17,22-dioxapentacyclo[21.2.2.213,16.13,7.011,30]triaconta-1(25),3,5,7(30),8,10,13,15,23,26,28-undecaene-2,12-dione acetone monosolvate

2012 ◽  
Vol 68 (8) ◽  
pp. o2598-o2599
Author(s):  
Daichi Hijikata ◽  
Kosuke Sasagawa ◽  
Sayaka Yoshiwaka ◽  
Akiko Okamoto ◽  
Noriyuki Yonezawa
Keyword(s):  
Dihedral Angle ◽  
Title Compound ◽  
Three Dimensional ◽  
Dihedral Angles ◽  
Π Interactions ◽  
Compound C ◽  
Benzene Rings

In the title compound, C30H26O6·C3H6O, thesyn-oriented benzoyl groups are nearly parallel to each other; the dihedral angle between their benzene rings is 15.9 (1)°. They form dihedral angles of 72.5 (1) and 84.3 (1)° with the naphthalene system. In the crystal, molecules are linked into a three-dimensional architecture by C—H...O and C—H...π interactions.

scholarly journals Ethyl 3-[7-(N-acetyl-4-methoxybenzenesulfonamido)-3-chloro-2H-indazol-2-yl]propionate

2014 ◽  
Vol 70 (3) ◽  
pp. o307-o308
Author(s):  
Assoman Kouakou ◽  
El Mostapha Rakib ◽  
Najat Abbassi ◽  
Mohamed Saadi ◽  
Lahcen El Ammari
Keyword(s):  
Dihedral Angle ◽  
Title Compound ◽  
Three Dimensional ◽  
Membered Ring ◽  
Dihedral Angles ◽  
Compound C ◽  
Dimensional Network

In the title compound, C21H22ClN3O6S, the fused five- and six-membered ring rings are almost perpendicular to the planes through the atoms forming the acetyl and the propionic ester groups, as indicated by the dihedral angles of 80.3 (2) and 88.3 (7)°, respectively. The dihedral angle between the indazole system and the 4-methoxybenzenesulfonyl group is 13.76 (6)°. The carbonyl O atom is split over two positions in a 0.60 (5):0.40 (5) ratio. In the crystal, molecules are linked by C—H...O and C—H...N interactions into a three-dimensional network.

scholarly journals Dimethyl 2,2′-dinitrobiphenyl-4,4′-dicarboxylate

2014 ◽  
Vol 70 (3) ◽  
pp. o305-o305 ◽  
Author(s):  
Ryan L. Lehane ◽  
James A. Golen ◽  
Arnold L. Rheingold ◽  
David R. Manke
Keyword(s):  
Dihedral Angle ◽  
Title Compound ◽  
Three Dimensional ◽  
Dihedral Angles ◽  
Aromatic Ester ◽  
Aromatic Rings ◽  
Compound C ◽  
Dimensional Network ◽  
Aryl Ester

The title compound, C16H12N2O8, exhibits two near-planar aromatic ester groups with aryl–ester dihedral angles of 2.1 (2) and 4.2 (3)°. The dihedral angle between the aromatic rings is 58.0 (1)°. The two nitro groups are tilted slightly from the plane of the aromatic rings, making dihedral angles of 14.1 (1) and 8.2 (2)°. In the crystal, molecules are connected by weak C—H...O interactions, forming a three-dimensional network.

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