scholarly journals 6,6′-[(1E,1′E)-Oxybis(4,1-phenylene)bis(azanylylidene)bis(methanylylidene)]bis(2-methylphenol): supramolecular assemblies in two dimensions mediated by weak C—H...N, C—H...O and C—H...π interactions

2018 ◽  
Vol 74 (5) ◽  
pp. 687-690 ◽  
Author(s):  
Md. Azharul Arafath ◽  
Huey Chong Kwong ◽  
Farook Adam ◽  
Mohd. R. Razali
Keyword(s):  
Schiff Base ◽  
Two Dimensions ◽  
Dihedral Angles ◽  
Two Dimensional ◽  
Π Interactions ◽  
Compound C ◽  
Dimensional Network ◽  
Phenyl Rings ◽  
The Mean ◽  
Centrosymmetric Dimers

The title compound, C28H24N2O3, is a flexible Schiff base, having a dihedral angle of 59.53 (5)° between the mean planes of two phenyl rings bounded in the centre by a single O atom. The dihedral angles between the mean planes of the phenyl rings bonded to the central O atom and the mean planes of the terminal methylphenol rings are 31.47 (6) and 36.03 (5)°, respectively. The sp 2-hybridized character of the azanylylidene groups is confirmed by their bond lengths and bond angles. In the crystal, molecules are linked into centrosymmetric dimers by weak C—H...N interactions and connected into dimeric chains through weak C—H...O interactions. These chains are interconnected into a two-dimensional network parallel to (1\overline{2}1) via weak C—H...π interactions.

scholarly journals Ethyl 4-hydroxy-1-methyl-5-oxo-2-phenylpyrrolidine-3-carboxylate 1.25-hydrate

2013 ◽  
Vol 69 (2) ◽  
pp. o293-o294
Author(s):  
Nurul Shulehaf Mansor ◽  
Mohd Fazli Mohammat ◽  
Zurina Shaameri ◽  
Hamid Khaledi
Keyword(s):  
Hydrogen Bonds ◽  
Ester Group ◽  
Dihedral Angles ◽  
Water Molecules ◽  
Two Dimensional ◽  
Asymmetric Unit ◽  
Compound C ◽  
Dimensional Network ◽  
Phenyl Rings ◽  
The Mean

The asymmetric unit of the title compound, C14H17NO4·1.25H2O, consists of four substituted pyrrolidone molecules (two pairs of enantiomers) and five water molecules. The five-membered rings each have an envelope conformation, with the C atom bonded to the ester group as the flap. The mean planes of the five-membered rings of the four pyrrolidone molecules make dihedral angles of 60.87 (5), 64.45 (5), 62.03 (5) and 65.79 (5)° with respect to the phenyl rings. In the crystal, the pyrrolidone and water molecules are connected through O—H...O hydrogen bonds, forming a layer parallel to theabplane. The two-dimensional network is further stabilized by intermolecular C—H...O hydrogen bonds.

scholarly journals Crystal structure of 2-nitro-N-(5-nitro-1,3-thiazol-2-yl)benzamide

2014 ◽  
Vol 70 (12) ◽  
pp. o1252-o1252 ◽  
Author(s):  
Rodolfo Moreno-Fuquen ◽  
Diego F. Sánchez ◽  
Javier Ellena
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Dihedral Angles ◽  
Two Dimensional ◽  
Compound C ◽  
Dimensional Network ◽  
Benzene Rings ◽  
The Mean ◽  
Amide Fragment

In the title compound, C10H6N4O5S, the mean plane of the non-H atoms of the central amide fragment C—N—C(=O)—C [r.m.s. deviation = 0.0294 Å] forms dihedral angles of 12.48 (7) and 46.66 (9)° with the planes of the thiazole and benzene rings, respectively. In the crystal, molecules are linked by N—H...O hydrogen bonds, forming chains along [001]. In addition, weak C—H...O hydrogen bonds link these chains, forming a two-dimensional network, containingR44(28) ring motifs parallel to (100).

scholarly journals N 1,N 4,3,6-Tetramethyl-1,2,4,5-tetrazine-1,4-dicarboxamide

2012 ◽  
Vol 68 (6) ◽  
pp. o1841-o1842
Author(s):  
Na-Bo Sun ◽  
Guo-Wu Rao ◽  
Qun Shen
Keyword(s):  
Hydrogen Bonds ◽  
Dihedral Angles ◽  
Maximum Deviation ◽  
Boat Conformation ◽  
Two Dimensional ◽  
Asymmetric Unit ◽  
Compound C ◽  
Dimensional Network ◽  
The Mean ◽  
Independent Molecules

The asymmetric unit of the title compound, C8H14N6O2, contains two independent molecules. In one molecule, the amide-substituted N atoms of the tetrazine ring deviate from the plane [maximum deviation = 0.028 (1) Å] through the four other atoms in the ring by 0.350 (2) and 0.344 (2) Å, forming a boat conformation, and the mean planes of the two carboxamide groups form dihedral angles of 10.46 (13) and 20.41 (12)° with the four approximtely planar atoms in the tetrazine ring. In the other molecule, the amide-substituted N atoms of the tetrazine ring deviate from the plane [maximum deviation = 0.033 (1) Å] through the four other atoms in the ring by 0.324 (2) and 0.307 (2) Å, forming a boat conformation, and the mean planes of the two carboxamide groups form dihedral angles of 14.66 (11) and 17.08 (10)° with the four approximately planar atoms of the tetrazine ring. In the crystal, N—H...O hydrogen bonds connect molecules to form a two-dimensional network parallel to (1-1-1). Intramolecular N—H...N hydrogen bonds are observed.

scholarly journals (E)-2-Phenyl-N-(thiophen-2-ylmethylidene)imidazo[1,2-a]pyridin-3-amine

IUCrData ◽  
2016 ◽  
Vol 1 (5) ◽  
Author(s):  
Abdelmalik Elaatiaoui ◽  
Fouad Elkalai ◽  
Noureddine Benchat ◽  
Mohamed Saadi ◽  
Lahcen El Ammari
Keyword(s):  
Three Dimensional ◽  
Ring System ◽  
Dihedral Angles ◽  
Asymmetric Unit ◽  
Compound C ◽  
Dimensional Network ◽  
Fused Ring ◽  
Phenyl Rings ◽  
The Mean ◽  
Fused Ring System

The asymmetric unit of the title compound, C18H13N3S, is build up from two independent molecules slightly inclined to each other. In each molecule, the imidazo[1,2-a]pyridine ring system is almost planar, with the largest deviation from the mean plane being 0.022 (1) Å in the first molecule and 0.018 (1) Å in the second molecule. The fused-ring system belonging to the first molecule makes dihedral angles of 24.06 (7) and 40.52 (8)° with the thiophenyl and phenyl rings, respectively. The corresponding values observed in the second molecule are nearly the same, namely 25.20 (7) and 38.99 (7)°, respectively. The dihedral angle between the thiophenyl and phenyl rings is 63.47 (9)° in the first molecule and 47.49 (9)° in the second. The cohesion of the crystal structure is ensured by two C—H...N hydrogen bonds between molecules and by three C—H...π interactions, forming a three-dimensional network.

scholarly journals 2-Amino-N′-phenylbenzohydrazide

2012 ◽  
Vol 68 (6) ◽  
pp. o1847-o1847
Author(s):  
Víctor Kesternich ◽  
Paulo Gahona ◽  
Marcia Pérez-Fehrmann ◽  
Iván Brito ◽  
Matías López-Rodríguez
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Dihedral Angles ◽  
Stacking Interactions ◽  
Two Dimensional ◽  
Aromatic Rings ◽  
Compound C ◽  
Dimensional Network ◽  
Centroid Distance ◽  
Phenyl Rings

In the title compound, C13H13N3O, the NNCO unit forms dihedral angles of 35.8 (1) and 84.0 (1)° with the benzene and phenyl rings, respectively. The dihedral angles between the aromatic rings is 61.2 (1)°. An intramolecular N—H...O hydrogen bond occurs. In the crystal, molecules are linked by weak N—H...O hydrogen bonds into C(4) chains parallel to the c axis. Neighbouring chains are linked by weak N—H...N hydrogen bonds, forming R 4 4(20) rings, and resulting in the formation of a two-dimensional network lying parallel to (010). The packing also features π–π stacking interactions between phenyl rings [centroid–centroid distance = 3.803 (2) Å].

scholarly journals 3-(4-Amino-3-ethyl-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-1-yl)-1,3-diphenylpropan-1-one

IUCrData ◽  
2017 ◽  
Vol 2 (1) ◽  
Author(s):  
Jianchao Xu ◽  
Hewen Wang
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Three Dimensional ◽  
Triazole Ring ◽  
Dihedral Angles ◽  
Axis Direction ◽  
Π Interactions ◽  
Compound C ◽  
Dimensional Network ◽  
Phenyl Rings

In the title compound, C19H20N4OS, the 1,2,4-triazole ring forms dihedral angles of 58.64 (9) and 87.68 (9)° with the phenyl rings, which are inclined to one another by 43.30 (6)°. In the crystal, molecules are linked by N—H...O, N—H...S and C—H...S hydrogen bonds, forming chains propagating along thec-axis direction. Neighbouring chains are linked by three C—H...π interactions, forming layers parallel to thebcplane. Finally, the layers are linked by a fourth C—H...π interaction, forming a three-dimensional network.

scholarly journals 1-[6-Chloro-2-(phenanthren-9-yl)quinolin-4-yl]pyrrolidin-2-one

IUCrData ◽  
2016 ◽  
Vol 1 (4) ◽  
Author(s):  
Rajamani Raja ◽  
Subramani Kandhasamy ◽  
Uma Maheswari Narayanan ◽  
Paramasivam T. Perumal ◽  
Ramu Dhanapal
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Dihedral Angles ◽  
Maximum Deviation ◽  
Two Dimensional ◽  
Pyrrolidine Ring ◽  
Compound C ◽  
Dimensional Network ◽  
The Mean

In the title compound, C27H19ClN2O, the quinoline system is planar, with a maximum deviation from the mean plane of 0.003 Å for the N atom. This ring makes dihedral angles of 56.64 (5) and 49.26 (2)° with phenanthrene and pyrrolidine rings, respectively. The pyrrolidine ring adopts a twisted conformation. In the crystal, molecules are linkedviaC—H...O hydrogen bonds, forming a two-dimensional network lying parallel to (010).

(E)-1-Mercapto-1-(p-tolylsulfanyl)-N-(p-tosylmethyl) methanimine: a two-dimensional supramolecular network of S—H...O and C—H...π interactions

2006 ◽  
Vol 62 (4) ◽  
pp. o1384-o1386
Author(s):  
Masaki Kakeya ◽  
Takashi Fujihara ◽  
Akira Nagasawa
Keyword(s):  
Crystal Structure ◽  
Dihedral Angle ◽  
Title Compound ◽  
Supramolecular Network ◽  
Two Dimensional ◽  
Π Interactions ◽  
Compound C ◽  
Dimensional Network ◽  
Benzene Rings ◽  
The Mean

In the crystal structure of the title compound, C16H17NO2S3, the dihedral angle between the mean planes of the two benzene rings is 70.8 (1)°. There are intermolecular S—H...O and C—H...π interactions, and molecules are linked into a two-dimensional network. The layers are further linked together by weak C—H...O interactions.

scholarly journals 4-Hydroxy-5-(2-methoxyphenoxy)-2,2′-bipyrimidin-6(5H)-one dihydrate

2013 ◽  
Vol 69 (11) ◽  
pp. o1707-o1708 ◽  
Author(s):  
Thammarse S. Yamuna ◽  
Jerry P. Jasinski ◽  
Brian J. Anderson ◽  
H.S. Yathirajan ◽  
Manpreet Kaur
Keyword(s):  
Hydrogen Bonds ◽  
Pyrimidine Ring ◽  
Dihedral Angles ◽  
Water Molecules ◽  
Two Dimensional ◽  
Asymmetric Unit ◽  
Compound C ◽  
Dimensional Network ◽  
Centroid Distance ◽  
The Mean

The title compound, C15H12N4O4·2H2O, crystallizes with two independent water molecules in the asymmetric unit. The dihedral angles between the mean planes of the benzene and pyrimidine rings and that of the pyrimidin-4-one ring are 85.1 (9) and 82.1 (1)°, respectively. The mean plane of the pyrimidine ring is twisted by 12.8 (8)° from that of the pyrimidin-4-one ring. The dihedral angles between the benzene ring and the mean planes of the pyrimidine and pyrimidin-4-one rings are 85.1 (9) and 82.1 (1)°, respectively.In the crystal, N–H...O, O—H...N and O—H...O hydrogen bonds involving both water molecules are present; these link the molecules into a two-dimensional network parallel to (010). In addition, weak C—H...π and π–π [centroid–centroid distance = 3.6183 (8) Å] interactions occur.

scholarly journals Crystal structure of ethyl (2S)-9-methoxy-2-methyl-4-oxo-3,4,5,6-tetrahydro-2H- 2,6-methanobenzo[g][1,3,5]oxadiazocine-11-carboxylate

2015 ◽  
Vol 71 (2) ◽  
pp. o117-o118
Author(s):  
A. Dhandapani ◽  
S. Manivarman ◽  
S. Subashchandrabose ◽  
B. Gunasekaran
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Two Dimensional ◽  
Π Interactions ◽  
Compound C ◽  
Dimensional Network ◽  
The Mean

In the title compound, C15H18N2O5, the methoxyphenyl ring makes a dihedral angle of 84.70 (12)° with the mean plane of the tetrahydropyrimidin-2(1H)-one ring. Both the pyran and tetrahydropyrimidin-2(1H)-one rings have distorted envelope conformations with the carboxylate-substituted C atom as the flap. In the crystal, molecules are linkedviapairs of N—H...O hydrogen bonds, forming zigzag chains propagating along [010], which encloseR22(8) ring motifs. The chains are linked by C—H...π interactions, forming a two-dimensional network parallel to (100).

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