scholarly journals Crystal structures of 2-[(4,6-diaminopyrimidin-2-yl)sulfanyl]-N-(naphthalen-1-yl)acetamide and 2-[(4,6-diaminopyrimidin-2-yl)sulfanyl]-N-(4-fluorophenyl)acetamide

2017 ◽  
Vol 73 (2) ◽  
pp. 306-309 ◽  
Author(s):  
S. Subasri ◽  
Timiri Ajay Kumar ◽  
Barij Nayan Sinha ◽  
Venkatesan Jayaprakash ◽  
Vijayan Viswanathan ◽  
...  
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Crystal Structures ◽  
Benzene Ring ◽  
Three Dimensional ◽  
Pyrimidine Ring ◽  
Ring System ◽  
Naphthalene Ring

The title compounds, C16H15N5OS, (I), and C12H12FN5OS, (II), are [(diaminopyrimidine)sulfanyl]acetamide derivatives. In (I), the pyrimidine ring is inclined to the naphthalene ring system by 55.5 (1)°, while in (II), the pyrimidine ring is inclined to the benzene ring by 58.93 (8)°. In (II), there is an intramolecular N—H...N hydrogen bond and a short C—H...O contact. In the crystals of (I) and (II), molecules are linked by pairs of N—H...N hydrogen bonds, forming inversion dimers withR22(8) ring motifs. In the crystal of (I), the dimers are linked by bifurcated N—H...(O,O) and C—H...O hydrogen bonds, forming layers parallel to (100). In the crystal of (II), the dimers are linked by N—H...O hydrogen bonds, also forming layers parallel to (100). The layers are linked by C—H...F hydrogen bonds, forming a three-dimensional architecture.

scholarly journals Crystal structures of 2-[(4,6-diaminopyrimidin-2-yl)sulfanyl]-N-(3-nitrophenyl)acetamide monohydrate andN-(2-chlorophenyl)-2-[(4,6-diaminopyrimidin-2-yl)sulfanyl]acetamide

2016 ◽  
Vol 72 (8) ◽  
pp. 1171-1175 ◽  
Author(s):  
S. Subasri ◽  
Ajay Kumar Timiri ◽  
Nayan Sinha Barji ◽  
Venkatesan Jayaprakash ◽  
Viswanathan Vijayan ◽  
...  
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Crystal Structures ◽  
Benzene Ring ◽  
Three Dimensional ◽  
Pyrimidine Ring ◽  
Compound I ◽  
Short Contact ◽  
Bond Forming ◽  
Dimensional Network

The title compounds, C12H12N6O3S·H2O, (I), and C12H12ClN5OS, (II), are 2-[(4,6-diaminopyrimidin-2-yl)sulfanyl]acetamides. Compound (I) crystallized as a monohydrate. In both compounds, the molecules have a folded conformation, with the pyrimidine ring being inclined to the benzene ring by 56.18 (6)° in (I) and by 67.84 (6)° in (II). In both molecules, there is an intramolecular N—H...N hydrogen bond stabilizing the folded conformation. In (I), there is also a C—H...O intramolecular short contact, and in (II) an intramolecular N—H...Cl hydrogen bond is present. In the crystal of (I), molecules are linked by a series of N—H...O, O—H...O and O—H...N hydrogen bonds, forming undulating sheets parallel to the (100). The sheets are linkedviaan N—H...Owaterhydrogen bond, forming a three-dimensional network. In the crystal of (II), molecules are linked by a series of N—H...O, N—H...N and C—H...O hydrogen bonds, forming slabs parallel to (001).

scholarly journals 1-{(Z)-[2-Methoxy-5-(trifluoromethyl)anilino]methylidene}naphthalen-2(1H)-one

2013 ◽  
Vol 69 (2) ◽  
pp. o163-o163
Author(s):  
Hakan Kargılı ◽  
Ayşen Alaman Ağar ◽  
Gökhan Alpaslan ◽  
Orhan Büyükgüngör ◽  
Ahmet Erdönmez
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Title Compound ◽  
Tautomeric Form ◽  
Ring System ◽  
Trifluoromethyl Group ◽  
Naphthalene Ring ◽  
Compound C

The title compound, C19H14F3NO2, crystallizes in the keto–amine tautomeric form, with a strong intramolecular N—H...O hydrogen bond. The molecule is almost planar; the dihedral angle between the naphthalene ring system and the benzene ring is 4.60 (7)°. In the crystal, molecules are linked into chains along thecaxis by C—H...O hydrogen bonds. The F atoms of the trifluoromethyl group are disordered over two positions with refined site occupancies of 0.668 (9) and 0.332 (9).

scholarly journals Crystal structures ofN-(4-chlorophenyl)-2-[(4,6-diaminopyrimidin-2-yl)sulfanyl]acetamide andN-(3-chlorophenyl)-2-[(4,6-diaminopyrimidin-2-yl)sulfanyl]acetamide

2017 ◽  
Vol 73 (4) ◽  
pp. 467-471 ◽  
Author(s):  
S. Subasri ◽  
Timiri Ajay Kumar ◽  
Barij Nayan Sinha ◽  
Venkatesan Jayaprakash ◽  
Vijayan Viswanathan ◽  
...  
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Three Dimensional ◽  
Pyrimidine Ring ◽  
Dimensional Structure ◽  
Asymmetric Unit ◽  
Independent Molecules ◽  
Compound Ii ◽  
Ring Motif

The title compounds, C12H12ClN5OS, (I), and C12H12ClN5OS, (II), are 2-[(diaminopyrimidin-2-yl)sulfanyl]acetamides. Compound (II), crystallizes with two independent molecules (AandB) in the asymmetric unit. In each of the molecules, in both (I) and (II), an intramolecular N—H...N hydrogen bond forms anS(7) ring motif. The pyrimidine ring is inclined to the benzene ring by 42.25 (14)° in (I), and by 59.70 (16) and 62.18 (15)° in moleculesAandB, respectively, of compound (II). In the crystal of (I), molecules are linked by pairs of N—H...N hydrogen bonds, forming inversion dimers with anR22(8) ring motif. The dimers are linkedviabifurcated N—H...O and C—H...O hydrogen bonds, forming corrugated layers parallel to theacplane. In the crystal of (II), theAmolecules are linked through N—H...O and N—H...Cl hydrogen bonds, forming layers parallel to (100). TheBmolecules are also linked by N—H...O and N—H...Cl hydrogen bonds, also forming layers parallel to (100). The parallel layers ofAandBmolecules are linkedviaN—H...N hydrogen bonds, forming a three-dimensional structure.

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 structures of two hydrazide derivatives of mefenamic acid, 3-(2,3-dimethylanilino)-N′-[(E)-(furan-2-yl)methylidene]benzohydrazide and N′-[(E)-benzylidene]-2-(2,3-dimethylanilino)benzohydrazide

2021 ◽  
Vol 77 (3) ◽  
pp. 242-246
Author(s):  
Shaaban K. Mohamed ◽  
Joel T. Mague ◽  
Mehmet Akkurt ◽  
Mustafa R. Albayati ◽  
Sahar M. I. Elgarhy ◽  
...  
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Crystal Structures ◽  
Benzene Ring ◽  
Network Structure ◽  
Mefenamic Acid ◽  
Three Dimensional ◽  
Dimensional Network ◽  
Molecular And Crystal Structures ◽  
Derivatives Of

The conformation about the central benzene ring in the molecule of (I), C20H19N3O2, is partially determined by an intramolecular N—H...O hydrogen bond. In the crystal, chains parallel to the c axis are generated by intermolecular N—H...O hydrogen bonds with the chains assembled into a three-dimensional network structure by intermolecular C—H...O hydrogen bonds and C—H...π(ring) interactions. The molecule of (II), C22H21N3O, differs from (I) only in the substituent at the hydrazide N atom where a phenylmethylene moiety for (II) is present instead of a furanmethylene moiety for (I). Hence, molecules of (I) and (II) show similarities in their molecular and crystal structures. The conformation of the central portion of the molecule of (II) is also therefore partially determined by an intramolecular N—H...O hydrogen bond and intermolecular N—H...O hydrogen bonds form chains parallel to the c axis. Likewise, the chains are connected into a three-dimensional network by C—H...O hydrogen bonds and C—H...π(ring) interactions.

scholarly journals 2-Hydroxy-N′-[2-(6-methoxynaphthalen-2-yl)propanoyl]benzohydrazide

2012 ◽  
Vol 68 (4) ◽  
pp. o1251-o1252
Author(s):  
Shaaban Kamel Mohamed ◽  
Peter N. Horton ◽  
Mehmet Akkurt ◽  
Mustafa R. Albayati ◽  
Herman Potgeiter
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Torsion Angle ◽  
Title Compound ◽  
Ring System ◽  
Naphthalene Ring ◽  
Compound C ◽  
Ring Motif

In the title compound, C21H20N2O4, the naphthalene ring system makes a dihedral angle of 84.5 (3)° with the benzene ring, and the –C(=O)–N(H)–N(H)–C(=O)– torsion angle is 70.7 (7)°, so that the molecule is twisted. AnS(6) ring motif is formedviaan intramolecular O—H...O hydrogen bond. In the crystal, molecules are linked by N—H...O and C–H...O hydrogen bonds into supramolecular layers in theabplane.

scholarly journals (E)-1-(4-Fluorophenyl)-2-(2-oxidonaphthalen-1-yl)diazen-1-ium

IUCrData ◽  
2017 ◽  
Vol 2 (1) ◽  
Author(s):  
Hassiba Bougueria ◽  
Souheyla Chetioui ◽  
Assia Mili ◽  
Salah eddine Bouaoud ◽  
Hocine Merazig
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Azo Dyes ◽  
Ring System ◽  
Naphthalene Ring ◽  
Π Stacking ◽  
Centroid Distance ◽  
The Family

In the title zwitterion, C16H11FN2O, which belongs to the family of azo dyes, the dihedral angle between the benzene ring and the naphthalene ring system is 15.33 (7)° and an intramolecular N—H...O hydrogen bond closes anS(6) ring. In the crystal, inversion dimers linked by weak C—H...O hydrogen bonds generateR22(16) loops. Aromatic π–π stacking [centroid–centroid distance = 3.585 (11) Å] is also observed.

scholarly journals Rubrene endoperoxide acetone monosolvate

2012 ◽  
Vol 68 (4) ◽  
pp. o995-o996 ◽  
Author(s):  
Kiyoaki Shinashi ◽  
Akira Uchida
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Dipolar Interaction ◽  
Ring System ◽  
Naphthalene Ring ◽  
Solvent Molecules

The title acetone solvate, C42H28O2·C3H6O [systematic name: 1,3,10,12-tetraphenyl-19,20-dioxapentacyclo[10.6.2.02,11.04,9.013,18]icosa-2(11),3,5,7,9,13,15,17-octaene acetone monosolvate], is a photooxygenation product of rubrene (systematic name: 5,6,11,12-tetraphenyltetracene). The molecule bends at the bridgehead atoms, which are linked by the O—O transannular bond, with a dihedral angle of 49.21 (6)° between the benzene ring and the naphthalene ring system of the tetracene unit. In the crystal, the rubrene molecules are linked by C—H...O hydrogen bonds into a column along thecaxis. The acetone solvent molecules form a dimer around a crystallographic inversion centre through a carbonyl–carbonyl dipolar interaction. A C—H...O hydrogen bond between the rubrene and acetone molecules is also observed.

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 The crystal structure of 2-[5-(dimethylamino)naphthalene-1-sulfonamido]phenyl 5-(dimethylamino)naphthalene-1-sulfonate

2015 ◽  
Vol 71 (10) ◽  
pp. o721-o722 ◽  
Author(s):  
Kittipong Chainok ◽  
Tanwawan Duangthongyou ◽  
Thawatchai Tuntulani ◽  
Apinya Chuenka ◽  
Boontana Wannalerse
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Title Compound ◽  
Ring System ◽  
Naphthalene Ring ◽  
Twofold Axis ◽  
Compound C

The complete molecule of the title compound, C30H29N3O5S2, is generated by a crystallographic twofold axis: the O atom and NH group attached to the central benzene ring are statistically disordered. The dihedral angle between the naphthalene ring system and the central benzene ring is 52.99 (6)°, while the pendant naphthalene ring systems subtend a dihedral angle of 68.17 (4)°. An intramolecular C—H...O hydrogen bond closes anS(6) ring. In the crystal, the molecules are linked by weak C—H...O hydrogen bonds.

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