scholarly journals 1,4a,7-Trimethyl-7-vinyl-1,2,3,4,4a,4b,5,6,7,8,10,10a-dodecahydrophenanthrene-1-carboxylic acid

2009 ◽  
Vol 65 (6) ◽  
pp. o1429-o1429
Author(s):  
Zhen-Dong Zhao ◽  
Yu-Xiang Chen ◽  
Yu-Min Wang ◽  
Liang-Wu Bi
Keyword(s):  
Hydrogen Bonding ◽  
Carboxylic Acid ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Molecular Conformation ◽  
Slash Pine ◽  
Carboxyl Groups ◽  
Isopimaric Acid ◽  
Hydrogen Bonding Interactions ◽  
Cyclohexene Ring

The title compound, also known as isopimaric acid, C20H30O2, was isolated from slash pine rosin. There are two unique molecules in the unit cell. The two cyclohexane rings have classical chair conformations. The cyclohexene ring represents a semi-chair. The molecular conformation is stabilized by weak intramolecular C—H...O hydrogen-bonding interactions. The molecules are dimerized through their carboxyl groups by O—H...O hydrogen bonds, formingR22(8) rings.

scholarly journals Crystal structures of 1-(4-chlorophenyl)-4-(4-methylphenyl)-2,5-dioxo-1,2,5,6,7,8-hexahydroquinoline-3-carboxylic acid and 4-(4-methoxyphenyl)-1-(4-methylphenyl)-2,5-dioxo-1,2,5,6,7,8-hexahydroquinoline-3-carbonitrile

2021 ◽  
Vol 77 (4) ◽  
pp. 351-355
Author(s):  
Omyma A. Abd Allah ◽  
Manpreet Kaur ◽  
Mehmet Akkurt ◽  
Shaaban K. Mohamed ◽  
Asmaa H. A. Tamam ◽  
...  
Keyword(s):  
Hydrogen Bonding ◽  
Carboxylic Acid ◽  
Three Dimensional ◽  
Boat Conformation ◽  
Hydrogen Bonding Interactions ◽  
Cyclohexene Ring ◽  
Dimensional Network ◽  
Independent Molecules ◽  
Twisted Boat ◽  
Ring Motif

In the title compounds C23H21ClN2O3 [I, namely 1-(4-chlorophenyl)-4-(4-methylphenyl)-3,8-dioxo-1,2,5,6,7,8-hexahydroquine-3-carboxylic acid] and C24H22N2O3 [II, namely 4-(4-methoxyphenyl)-1-(4-methylphenyl)-2,5-dioxo-1,2,5,6,7,8-hexahydroquinoline-3-carbonitrile], each of the cyclohexene and dihydropyridine rings of the 1,2,5,6,7,8-hexahydroquinoline moieties adopts a twisted-boat conformation. The asymmetric units of both compounds I and II consist of two independent molecules (A and B). In II A, three carbon atoms of the cyclohexene ring are disordered over two sets of sites in a 0.670 (11):0.330 (11) occupancy ratio. In the crystal of I, molecules are linked through classical N—H...O hydrogen bonds, forming inversion dimers with an R 2 2(8) ring motif and with their molecular planes parallel to the crystallographic (020) plane. Non-classical C—H...O hydrogen-bonding interactions connect the dimers, resulting in a three-dimensional network. In the crystal of II, molecules are linked by C—H...N, C—H...O and C—H...π interactions, forming a three-dimensional network.

scholarly journals N-(4-Bromophenyl)methoxycarbothioamide

Molbank ◽  
10.3390/m1012 ◽  
2018 ◽  
Vol 2018 (3) ◽  
pp. M1012
Author(s):  
Chien Yeo ◽  
Edward Tiekink
Keyword(s):  
Molecular Structure ◽  
Hydrogen Bonding ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Molecular Conformation ◽  
Three Dimensional ◽  
Halogen Bonding ◽  
Asymmetric Unit ◽  
Weak Intermolecular Interactions ◽  
Independent Molecules

The synthesis, spectroscopic and crystallographic characterisation of the title compound, O-methyl-N-4-bromophenyl thiocarbamate, MeOC(=S)N(H)PhBr-4 (1), are described. Spectroscopy confirmed the formation of the compound and the molecular structure was determined crystallographically. Two independent but chemically similar molecules comprise the asymmetric unit of 1. The C‒S and C‒N bond lengths confirm the presence of the thioamide tautomer. The thione-S and amide-N‒H atoms are syn, enabling the formation of amide-N‒H…S(thione) hydrogen bonds between the two independent molecules that generates a two-molecule aggregate via an eight-membered {…HNCS}2 synthon. The aggregates are connected into a three-dimensional architecture via weak intermolecular interactions, including Br…π(4-bromophenyl), S…π(4-bromophenyl), and weak Br…S halogen bonding contacts. The overall molecular conformation, thioamide tautomer, and the presence of amide-N‒H…S(thione) hydrogen bonding in the crystal conform with expectation for this class of compound.

1-[1-(2-Chlorophenyl)ethylidene]thiosemicarbazide

2007 ◽  
Vol 63 (3) ◽  
pp. o1160-o1161 ◽  
Author(s):  
Jian-Gang Wang ◽  
Fang-Fang Jian ◽  
Xiao-Yan Ren ◽  
Shi-Hong Kan
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Room Temperature ◽  
Two Dimensional ◽  
Compound C ◽  
Hydrogen Bonding Interactions

The title compound, C9H10CIN3S, was prepared by the reaction of thiosemicarbazide with 1-(2-chlorophenyl)ethanone at room temperature. The packing is stabilized by hydrogen bonds. In the crystal structure, molecules are linked into two-dimensional layers by intermolecular N—H...S hydrogen-bonding interactions.

scholarly journals Synthesis and structure of ethyl 2-[(4-oxo-3-phenyl-3,4-dihydroquinazolin-2-yl)sulfanyl]acetate

2020 ◽  
Vol 76 (5) ◽  
pp. 668-672
Author(s):  
Cong Nguyen Tien ◽  
Quang Nguyen Tan ◽  
Dung Pham Duc ◽  
Phuong Tran Hoang ◽  
Dat Nguyen Dang ◽  
...  
Keyword(s):  
Hydrogen Bonding ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Phenyl Ring ◽  
Methyl Group ◽  
Ethyl Chloroacetate ◽  
Compound C ◽  
Hydrogen Bonding Interactions ◽  
Hirshfeld Analysis

The title compound, C18H16N2O3S, was synthesized by reaction of 2-mercapto-3-phenylquinazolin-4(3H)-one with ethyl chloroacetate. The quinazoline ring forms a dihedral angle of 86.83 (5)° with the phenyl ring. The terminal methyl group is disordered by a rotation of about 60° in a 0.531 (13): 0.469 (13) ratio. In the crystal, C—H...O hydrogen-bonding interactions result in the formation of columns running in the [010] direction. Two parallel columns further interact by C—H...O hydrogen bonds. The most important contributions to the surface contacts are from H...H (48.4%), C...H/H...C (21.5%) and O...H/H...O (18.7%) interactions, as concluded from a Hirshfeld analysis.

scholarly journals 2-Oxo-1,2-dihydroquinoline-4-carboxylic acid monohydrate

IUCrData ◽  
2016 ◽  
Vol 1 (6) ◽  
Author(s):  
Yassir Filali Baba ◽  
Joel T. Mague ◽  
Youssef Kandri Rodi ◽  
Younes Ouzidan ◽  
El Mokhtar Essassi ◽  
...  
Keyword(s):  
Carboxylic Acid ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Carboxyl Groups ◽  
Water Molecules ◽  
Asymmetric Unit ◽  
Lattice Water ◽  
Compound C ◽  
Quinolone Derivatives

In the title compound, C10H7NO3·H2O, O—H...O hydrogen bonds involving the carboxyl groups, the keto groups and the lattice water molecules form stepped sheets approximately parallel to {010} which are tied together by pairwise N—H...O interactions. The asymmetric unit contains two independent quinolone derivatives and two water molecules, one of which is disordered over two positions, of equal occupancy.

scholarly journals 2,2′-Bipyridin-1′-ium 1-oxide bromide monohydrate

2018 ◽  
Vol 74 (3) ◽  
pp. 341-344 ◽  
Author(s):  
Katharina Heintz ◽  
Helmar Görls ◽  
Wolfgang Imhof
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonding ◽  
Hydrogen Bonds ◽  
Water Molecule ◽  
Title Compound ◽  
Structural Disorder ◽  
Occupancy Rate ◽  
Hydrogen Bonding Interactions ◽  
Bromide Ions

The title compound 2,2′-bipyridin-1′-ium 1-oxide bromide crystallizes as a monohydrate, C10H9N2+·Br−·H2O. Structural disorder is observed due to the fact that protonation, as well as oxidation, of the N atoms of 2,2′-bipyridine occurs at either of the N atoms. The disorder extends to the remainder of the cation, with a refined occupancy rate of 0.717 (4) for the major moiety. An intramolecular N—H...O hydrogen bond forces the bipyridine unit into ans-cisconformation. Each pair of neighbouring 2,2′-bipyridin-1′-ium ions forms a dimeric aggregate by hydrogen bonds between their respective N—O and the N—H functions. These dimers and hydrogen-bonding interactions with bromide ions and the water molecule give rise to a complex supramolecular arrangement.

scholarly journals Crystal structure of 4-{[(naphthalen-2-yl)sulfonylamino]methyl}cyclohexanecarboxylic acid

2015 ◽  
Vol 71 (3) ◽  
pp. o145-o145 ◽  
Author(s):  
Muhammad Danish ◽  
Muhammad Nawaz Tahir ◽  
Asif Hussain ◽  
Muhammad Ashfaq ◽  
Muhammad Nadeem Sadiq
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Carboxylic Acid ◽  
Hydrogen Bonds ◽  
Tranexamic Acid ◽  
Title Compound ◽  
Π Interactions ◽  
Carboxylic Acid Groups ◽  
Compound C ◽  
Thick Layers

The title compound, C18H21NO4S, is a new sulfonamide derivative of tranexamic acid. In the crystal, molecules form inversion dimersviaO—H...O hydrogen bonds involving the carboxylic acid groups. Hydrogen bonding between the sulfonamide N—H group and the carboxylic acid O atom assembles the dimers into thick layers parallel to (100). The naphthalene groups of adjacent layers are arranged in a herring-bone motif. There are C—H...π interactions between the naphthalene rings of neighbouring layers.

(E)-3-(2-Nitriminoimidazolidin-1-yl)-1-phenylpropan-1-one

2007 ◽  
Vol 63 (11) ◽  
pp. o4242-o4242
Author(s):  
Haibo Yu ◽  
Bingnan Zhang ◽  
Jianxin Fang
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Imidazole Ring ◽  
Dimensional Chain ◽  
Two Dimensional ◽  
One Dimensional ◽  
Compound C ◽  
Hydrogen Bonding Interactions

In the crystal structure of the title compound, C12H14N4O3, the dihedral angle between the phenyl and imidazole rings is 76.55 (7)°. The nitrite O atoms of the (E)-2-nitriminoimidazolidin-1-yl group act as the acceptors of three N—H...O hydrogen bonds from the N atom of the imidazole ring, resulting in a one-dimensional chain. C—H...O hydrogen-bonding interactions are also observed in this complex, extending the structure into a two-dimensional supramolecular sheet.

3-(4-Hexyloxyphenyl)isobenzofuran-1(3H)-one

2006 ◽  
Vol 62 (5) ◽  
pp. o1941-o1943 ◽  
Author(s):  
M. Vijayan ◽  
K. Chinnakali ◽  
P. Amaladass ◽  
A. K. Mohanakrishnan ◽  
Hoong-Kun Fun
Keyword(s):  
Hydrogen Bonding ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Ring System ◽  
Unit Cell ◽  
Axis Direction ◽  
Compound C ◽  
Hydrogen Bonding Interactions ◽  
Ribbon Structure ◽  
A Chain

In the title compound, C20H22O3, the hexyloxyphenyl group is orthogonal to the isobenzofuran-1-one ring system. The molecules, translated by one unit cell along the a-axis direction, are linked into a chain by intermolecular C—H...O hydrogen-bonding interactions, and the inversion-related molecules of adjacent chains are linked via C—H...O hydrogen bonds to form a ribbon structure.

scholarly journals Crystal structure of tetrakis(isonicotinamide-κN)bis(thiocyanato-κN)cobalt(II)–isonicotinamide–ethanol (1/2/1)

2016 ◽  
Vol 72 (8) ◽  
pp. 1077-1080 ◽  
Author(s):  
Tristan Neumann ◽  
Inke Jess ◽  
Christian Näther
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Solvent Molecule ◽  
Three Dimensional ◽  
Asymmetric Unit ◽  
Hydrogen Bonding Interactions ◽  
Dimensional Network ◽  
Solvent Molecules

The asymmetric unit of the title compound, [Co(NCS)2(C6H6N2O)4]·2C6H6N2O·C2H5OH, comprises one CoIIcation, two thiocyanate anions, four coordinating and two solvent isonicotinamide molecules and one ethanol solvent molecule. The CoIIcations are octahedrally coordinated by four N-coordinating isonicotinamide ligands and two terminally N-bonded thiocyanate anions. These discrete complexes are linked by intermolecular N—H...O and N—H...S hydrogen-bonding interactions into a three-dimensional network. The two isonicotinamide and the ethanol solvent molecules are embedded in channels of this network and are linked through further N—H...O and N—H...N hydrogen bonds to the network. The ethanol solvent molecule is disordered over two sets of sites (occupancy ratio 0.6:0.4).

Sign in / Sign up

Export Citation Format

Share Document