scholarly journals S-2-Amino-5-(dimethylammonio)phenyl sulfothioate

2009 ◽  
Vol 65 (6) ◽  
pp. o1215-o1215
Author(s):  
Gordana Pavlović ◽  
Livio Racané ◽  
Vesna Tralić-Kulenović
Keyword(s):  
Crystal Structure ◽  
Methylene Blue ◽  
Hydrogen Bonds ◽  
Membered Ring ◽  
Blue Dye ◽  
Methylene Blue Dye ◽  
Two Dimensional ◽  
Compound C ◽  
Dimensional Network ◽  
Graph Set

The title compound, C8H12N2O3S2, has been isolated as an intermediate in the synthesis of methylene blue dye, the best known phenothiazine dye, and structurally characterized as a zwitterion. The crystal structure is dominated by intermolecular N—H...O hydrogen bonds between the amine and sulfothioate groups, with graph-set motifC(9)R22(8), involving antiparallel chains and a centrosymmetric eight-membered ring. A hydrogen bond with graph-set motifR22(14) between the ammonium and sulfothioate groups completes the two-dimensional network in theabplane. Intermolecular C—H...O hydrogen bonds are also present in the crystal.

scholarly journals S-5-Amino-2-(dimethylammonio)phenyl sulfothioate

2009 ◽  
Vol 65 (6) ◽  
pp. o1263-o1264 ◽  
Author(s):  
Gordana Pavlović ◽  
Livio Racané ◽  
Vesna Tralić-Kulenović
Keyword(s):  
Crystal Structure ◽  
Methylene Blue ◽  
Hydrogen Bonds ◽  
Blue Dye ◽  
Methylene Blue Dye ◽  
Intermolecular Hydrogen Bonds ◽  
Dimethylamino Group ◽  
Zwitterionic Form ◽  
Compound C ◽  
Independent Molecules

The title compound, C8H12N2O3S2, has been isolated as a by-product in the synthesis of methylene blue dye. The compound crystallizes with four independent molecules in the unit cell (Z′= 4). The zwitterionic form of the molecule was established on the basis of the hydrogen atom located at the dimethylamino group. The crystal structure is dominated by intermolecular hydrogen bonds of the N—H...O type formed between amino and ammonio N—H groups and O atoms from the sulfothioate group. There are in addition two weak intermolecular N—H...N interactions and some non-conventional C—H...O hydrogen bonds.

scholarly journals Crystal structure of ethyl (4R)-2-amino-7-hydroxy-4-phenyl-4H-chromene-3-carboxylate

2015 ◽  
Vol 71 (7) ◽  
pp. o519-o520
Author(s):  
Joel T. Mague ◽  
Shaaban K. Mohamed ◽  
Mehmet Akkurt ◽  
Sabry H. H. Younes ◽  
Mustafa R. Albayati
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Phenyl Ring ◽  
Membered Ring ◽  
Two Dimensional ◽  
Crystal Stability ◽  
Compound C ◽  
Dimensional Network

In the title compound, C18H17NO4, the dihedral angle between the phenyl ring and the fused six-membered ring is 77.65 (4)°. The conformation of the molecule is determined in part by an intramolecular N—H...O hydrogen bond between the amino H atom and the carbonyl O atom, forming anS(6) motif. In the crystal, molecules are linked into N—H...O hydrogen-bonded inversion dimers which are then connected into chains along [001], forming a two-dimensional network parallel to (100)viaO—H...O hydrogen bonds. C—H...O interactions further contribute to the crystal stability. The ethyl group is disordered over two sets of sites in a 0.801 (5):0.199 (5) ratio.

scholarly journals (1E,2E)-2-Methyl-3-phenylacrylaldehyde thiosemicarbazone

2012 ◽  
Vol 68 (6) ◽  
pp. o1840-o1840 ◽  
Author(s):  
Rafael Mendoza-Meroño ◽  
Santiago García-Granda
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Two Dimensional ◽  
Π Interactions ◽  
Compound C ◽  
Dimensional Network ◽  
Graph Set

In the crystal structure of the title compound, C11H13N3S, molecules form centrosymmetric synthons with an R 2 2(8) graph-set motif, linked by pairs of N—H...S hydrogen bonds. The synthons are connected through further N—H...S hydrogen bonds, extending the packing to form a two-dimensional network lying parallel to (001). In addition, C—H...π interactions are observed.

scholarly journals Crystal structure of 6,6,12,12-tetrachlorotricyclo[8.2.0.04,7]dodecane-5,11-dione

2015 ◽  
Vol 71 (9) ◽  
pp. 1000-1002
Author(s):  
Esra Turan Akın ◽  
Tuncer Hökelek
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Membered Ring ◽  
Two Dimensional ◽  
Asymmetric Unit ◽  
Hydrogen Atoms ◽  
Compound C ◽  
Dimensional Network ◽  
Independent Molecules

The asymmetric unit of the title compound, C12H12Cl4O2, contains two crystallographically independent molecules with almost identical conformations (r.m.s. overlay fit for the non-hydrogen atoms = 0.059 Å). In each molecule, the central eight-membered ring has a distorted boat configuration, and two non-planar four-membered rings are fused on either side of the eight-membered ring. A weak C—H...O hydrogen bond links the two independent molecules. In the crystal, weak C—H...O hydrogen bonds link the molecules into a two-dimensional network parallel to (001).

scholarly journals Hydrogen bonds and van der Waals forces as tools for the construction of a herringbone pattern in the crystal structure of hexane-1,6-diaminium hexane-1,6-diyl bis(hydrogen phosphonate)

2017 ◽  
Vol 73 (1) ◽  
pp. 76-80
Author(s):  
Guido J. Reiss ◽  
Martin van Megen ◽  
Walter Frank
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Three Dimensional ◽  
Membered Ring ◽  
Two Dimensional ◽  
Asymmetric Unit ◽  
Diphosphonic Acid ◽  
Dimensional Network ◽  
Anions And Cations ◽  
Graph Set

The asymmetric unit of the title salt, [H3N(CH2)6NH3][(HO)O2P(CH2)6PO2(OH)], consists of one half of a hexane-1,6-diaminium dication and one half of a hexane-1,6-diyl bis(hydrogen phosphonate) dianion. Both are located around different centres of inversion (Wyckoff sites: 2aand 2d) of the space groupP21/c. The shape of the hexane-1,6-diaminium cation is best described as a double hook. Both aminium groups as well as the two attached CH2groups are turned out from the plane of the central four C atoms. In contrast, all six C atoms of the dianion are almost in a plane. The hydrogen phosphonate (–PO3H) groups of the anions and the aminium groups of the cations form two-dimensional O—H... and O—H...N hydrogen-bonded networks parallel to theacplane, built up from ten-membered and twelve-membered ring motifs with graph-set descriptorsR33(10) andR54(12), respectively. These networks are linked by the alkylene chains of the anions and cations. The resulting three-dimensional network shows a herringbone pattern, which resembles the parent structures 1,6-diaminohexane and hexane-1,6-diphosphonic acid.

scholarly journals Crystal structure of (1R,3S,8R,11R)-11-acetyl-3,7,7-trimethyl-10-oxatricyclo[6.4.0.01,3]dodecan-9-one

2015 ◽  
Vol 71 (12) ◽  
pp. o1013-o1014
Author(s):  
Abdoullah Bismoussa ◽  
My Youssef Ait Itto ◽  
Jean-Claude Daran ◽  
Abdelwahed Auhmani ◽  
Aziz Auhmani
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Chair Conformation ◽  
Membered Ring ◽  
Boat Conformation ◽  
Two Dimensional ◽  
Compound C ◽  
Dimensional Network ◽  
A Minor

The title compound, C16H24O3, is built up from three fused rings, a six-membered, a seven-membered and a three-membered ring. The absolute configuration of the title compound was determined as (1R,3S,8R,11R) based on the synthetic pathway. The six-membered ring has an half-chair conformation whereas the seven-membered ring displays a boat conformation. In the cyrstal, C—H...O hydrogen bonds build up a two-dimensional network parallel to (0 0 1). The crystal studied was an inversion twin with a minor twin component of 34%.

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).

2′-(1H-Indol-3-ylmethylene)isonicotinohydrazide ethanol solvate

2006 ◽  
Vol 62 (4) ◽  
pp. o1360-o1361 ◽  
Author(s):  
Zuo-Liang Jing ◽  
Wen-Wen Cheng ◽  
Xin Chen ◽  
Yu Ming
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Two Dimensional ◽  
Compound C ◽  
Dimensional Network ◽  
Ethanol Solvate

In the crystal structure of the title compound, C15H12N4O·C2H6O, molecules are linked via weak intermolecular N—H...N, O—H...O and N—H...O hydrogen bonds, forming a two-dimensional network.

scholarly journals 2-(1H-Tetrazol-1-yl)acetic acid monohydrate

2012 ◽  
Vol 68 (8) ◽  
pp. o2561-o2561
Author(s):  
Wen-Xiang Wang
Keyword(s):  
Crystal Structure ◽  
Acetic Acid ◽  
Carboxylic Acid ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Acid Group ◽  
Two Dimensional ◽  
Carboxylic Acid Group ◽  
Compound C ◽  
Dimensional Network

The crystal structure of the title compound, C3H4N4O2·H2O, exhibits O—H...O and O—H...N hydrogen bonds, which lead to the formation of a two-dimensional network parallel to thebcplane. The dihedral angle between the ring and the carboxylic acid group is 84.6 (14)°.

Benzyldiethylammonium chloride

2006 ◽  
Vol 62 (5) ◽  
pp. o1735-o1737 ◽  
Author(s):  
Daniel Lorono-Gonzalez
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Ionic Species ◽  
Polar Space ◽  
Crystal Structure Analysis ◽  
Two Dimensional ◽  
Compound C ◽  
Dimensional Network

The title compound, C11H18N+·Cl−, crystallizes in a non-centrosymmetric polar space group and possesess normal geometric parameters. The crystal structure analysis reveals a discrete ionic species, for which the packing is consolidated by an N—H...Cl hydrogen bond and C—H...Cl hydrogen bonds, resulting in a two-dimensional network.

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