scholarly journals Polymorph of (E)-N′-(4-chlorobenzylidene)isonicotinohydrazide monohydrate

IUCrData ◽  
2018 ◽  
Vol 3 (11) ◽  
Author(s):  
Jigmat Stondus ◽  
Sumati Anthal ◽  
A. Jayashree ◽  
B. Narayana ◽  
B. K. Sarojini ◽  
...  
Keyword(s):  
Schiff Base ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Three Dimensional ◽  
Water Molecules ◽  
Two Dimensional ◽  
Acta Cryst ◽  
Dimensional Network ◽  
Benzene Rings

The title hydrate, C13H10ClN3O·H2O, is the orthorhombic polymorph of the previously reported monoclinic compound [Fun et al. (2012). Acta Cryst. E68, o2303–o2304). In the title compound, the dihedral angle between the pyridine and benzene rings is 18.0 (2)°. In the crystal, the Schiff base molecules and water molecules are linked via O—H...O, N—H...O and O—H...N hydrogen bonds, forming a two-dimensional network parallel to (001). In addition, the Schiff base molecules are linked end-to-end by weak C—H...Cl hydrogen along the c-axis direction, forming an overall three-dimensional network. Weak C—H...π interactions are also observed.

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 2-[(E)-2-(4-Hydroxy-3-methoxyphenyl)ethenyl]-1-methylpyridinium 4-bromobenzenesulfonate monohydrate

2013 ◽  
Vol 69 (12) ◽  
pp. o1851-o1852
Author(s):  
Suchada Chantrapromma ◽  
Nawong Boonnak ◽  
Boonwasana Jindawong ◽  
Hoong-Kun Fun
Keyword(s):  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Torsion Angle ◽  
Three Dimensional ◽  
Water Molecules ◽  
Π Interactions ◽  
Dimensional Network ◽  
Benzene Rings

The title salt crystallized as the monohydrate C15H16NO2+·C6H4BrSO3−·H2O. The cation exists in anEconformation with respect to the ethynyl bond and is essentially planar, with a dihedral angle of 6.52 (14)° between the pyridinium and the benzene rings. The hydroxy and methoxy substituents are coplanar with the benzene ring to which they are attached, with an r.m.s. deviation of 0.0116 (3) Å for the nine non-H atoms [Cmethyl—O—C—C torsion angle = −0.8 (4)°]. In the crystal, the cations and anions are stacked by π–π interactions, with centroid–centroid distances of 3.7818 (19) and 3.9004 (17) Å. The cations, anions and water molecules are linked by O—H...O hydrogen bonds and weak C—H...O interactions, forming a three-dimensional network.

A two-dimensional network containing an –Mn—O—C—O—Mn– chain: poly[diaqua[1,2-bis(pyridin-4-yl)ethylene][μ3-3-carboxy-5-(carboxylatomethoxy)benzoato]manganese(II)]

2013 ◽  
Vol 69 (11) ◽  
pp. 1311-1313
Author(s):  
Yong-Qian Lei ◽  
Guan-Hua Wang
Keyword(s):  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Title Compound ◽  
Supramolecular Structure ◽  
Three Dimensional ◽  
Isophthalic Acid ◽  
Water Molecules ◽  
Carboxylate Group ◽  
Two Dimensional ◽  
Dimensional Network

In the title compound, [Mn(C10H6O7)(C12H10N2)(H2O)2]nor [Mn(HOABDC)(bpe)(H2O)2]n[H3OABDC is 5-(carboxymethoxy)isophthalic acid and bpe is 1,2-bis(pyridin-4-yl)ethylene], each MnIIcation is at the centre of a distorted octahedron formed by three carboxylate O atoms from three different HOABDC2−ligands, one pyridyl N atom from the terminal bpe ligand and two water molecules. The flexible oxyacetate group bound to a methylene C atom of the HOABDC2−ligand links the MnIIcentres into –Mn—O—C—O—Mn– chains, and the carboxylate group bound directly to the benzene ring extends the chains into two-dimensional layers which lie parallel to the (010) plane and present herringbone patterns. Intermolecular O—H...N and C—H...O hydrogen bonds connect the layers into a three-dimensional supramolecular structure.

scholarly journals tert-Butyl 3-amino-5-bromo-1H-indazole-1-carboxylate

IUCrData ◽  
2021 ◽  
Vol 6 (7) ◽  
Author(s):  
Aravazhi Amalan Thiruvalluvar ◽  
Raviraj Kusanur ◽  
Makuteswaran Sridharan
Keyword(s):  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Three Dimensional ◽  
Stacking Interactions ◽  
Tert Butyl ◽  
Compound C ◽  
Π Stacking ◽  
Dimensional Network ◽  
Benzene Rings

In the title compound, C12H14BrN3O2, the pyrazole and benzene rings are nearly co-planar with a dihedral angle between the rings of 2.36 (5)°. In the crystal, inversion dimers linked by pairwise N—H...N hydrogen bonds generate R 2 2(8) loops. The dimers are linked into a three-dimensional network by weak aromatic π–π stacking interactions [centroid–centroid separation = 3.7394 (6) Å] and C—H...O and C—H...Br hydrogen bonds.

scholarly journals 5-Fluoro-2-(2-fluorophenyl)-3-methylsulfinyl-1-benzofuran

2014 ◽  
Vol 70 (7) ◽  
pp. o829-o829
Author(s):  
Hong Dae Choi ◽  
Pil Ja Seo ◽  
Uk Lee
Keyword(s):  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Three Dimensional ◽  
Ring System ◽  
Π Interactions ◽  
Compound C ◽  
Dimensional Network ◽  
Centroid Distance ◽  
Benzene Rings

In the title compound, C15H10F2O2S, the dihedral angle between the plane of the benzofuran ring system (r.m.s. deviation = 0.015 Å) and that of the 2-fluorophenyl ring is 28.53 (6)°. In the crystal, molecules are linked by C—H...O and C—H...F hydrogen bonds, and by π–π interactions between the furan and benzene rings of neighbouring molecules [centroid–centroid distance = 3.625 (2) Å], forming a three-dimensional network.

scholarly journals Methyl 1-phenyl-3-p-tolyl-1,9b-dihydro-3H-chromeno[4,3-c]isoxazole-3a(4H)-carboxylate

2014 ◽  
Vol 70 (3) ◽  
pp. o281-o282
Author(s):  
B. Raghuvarman ◽  
J. Srinivasan ◽  
M. Bakthadoss ◽  
S. Aravindhan
Keyword(s):  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Two Dimensional ◽  
Pyran Ring ◽  
Isoxazole Ring ◽  
Compound C ◽  
Dimensional Network ◽  
Twist Conformation ◽  
Benzene Rings

In the title compound, C25H23NO4, the pyran ring of the chroman moiety has an envelope conformation with the methylene C atom as the flap. The isoxazole ring has a twist conformation on the O—C bond. The dihedral angle between their mean planes is 57.87 (9)°. The attached phenyl and benzene rings are twisted away from its mean plane by 56.19 (10) and 50.57 (10)°, respectively. These two rings are normal to each other, subtending a dihedral angle of 89.2 (1)°. In the crystal, there are no classical hydrogen bonds; the molecules are linkedviaC—H...π interactions, forming a two-dimensional network lying parallel to (10-1).

scholarly journals (E)-4-Bromo-N′-(4-hydroxy-3-methoxybenzylidene)benzohydrazide monohydrate

2012 ◽  
Vol 68 (4) ◽  
pp. o1069-o1070 ◽  
Author(s):  
Jirapa Horkaew ◽  
Suchada Chantrapromma ◽  
Teerasak Anantapong ◽  
Akkharawit Kanjana-Opas ◽  
Hoong-Kun Fun
Keyword(s):  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Torsion Angle ◽  
Title Compound ◽  
Methoxy Group ◽  
Three Dimensional ◽  
Compound C ◽  
Dimensional Network ◽  
Benzene Rings

In the title compound, C15H13BrN2O3·H2O, the dihedral angle between the two benzene rings is 13.92 (6)°. The methoxy group of the 4-hydroxy-3-methoxyphenyl is almost coplanar with its bound benzene ring, as seen by the Cmethyl—O—C—C torsion angle of −0.35 (16)°. In the crystal, molecules are linked into a three-dimensional network by N—H...O, O—H...N and O—H...O hydrogen bonds and also weak C—H...O interactions. A short C...O contact of 3.0191 (15) Å is also present.

scholarly journals 4-[5-(4-Chlorophenyl)-3-methyl-1H-pyrazol-1-yl]benzenesulfonamide

2013 ◽  
Vol 69 (2) ◽  
pp. o295-o296
Author(s):  
Muhammad A. Farrukh ◽  
Shaaban K. Mohamed ◽  
Maqsood Ahmed ◽  
Adel A. Marzouk ◽  
Samir M. El-Moghazy
Keyword(s):  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Three Dimensional ◽  
Dimensional Structure ◽  
Two Dimensional ◽  
Tetrahedral Geometry ◽  
Compound C ◽  
Dimensional Network ◽  
Sulfonamide Group

In the title compound, C16H14ClN3O2S, the dihedral angle between the benzene and pyrazole rings is 52.75 (2)°, while that between the pyrazole and 4-chlorophenyl rings is 54.0 (3)°. The terminal sulfonamide group adopts an approximately tetrahedral geometry about the S atom with a C—S—N angle of 108.33 (10)°. In the crystal, pairs of N—H...N hydrogen bonds lead to the formation of inversion dimers. These dimers are linkedviaa second pair of N—H...N hydrogen bonds and C—H...O interactions, forming a two-dimensional network lying parallel to thebcplane. The two-dimensional networks are linkedviaC—H...Cl interactions, forming a three-dimensional structure.

scholarly journals Chloridobis[2-(1,3-thiazol-4-yl-κN)-1H-benzimidazole-κN3]cobalt(II) chloride dihydrate

2012 ◽  
Vol 68 (8) ◽  
pp. m1042-m1043
Author(s):  
Zhan-Wang Shi ◽  
Yan Qin ◽  
Yan-Xia Lin ◽  
Wei Wu ◽  
Peng Liang
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Three Dimensional ◽  
Water Molecules ◽  
Chloride Dihydrate ◽  
Trigonal Bipyramidal ◽  
Dimensional Network ◽  
Benzene Rings ◽  
Cl Atom ◽  
Distorted Trigonal Bipyramidal

In the title compound, [CoCl(C10H7N3S)2]Cl·2H2O, the CoIIatom is five-coordinated by four N atoms from two chelating 2-(1,3-thiazol-4-yl)-1H-benzimidazole ligands and one Cl atom in a distorted trigonal–bipyramidal geometry. In the crystal, N—H...O and O—H...Cl hydrogen bonds and π–π interactions between the thiazole, imidazole and benzene rings [centroid-to-centroid distances 3.546 (2), 3.683 (2) and 3.714 (2) Å] link the complex cations, chloride anions and uncoordinating water molecules into a three-dimensional network.

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