scholarly journals (3S,5R,6S)-Diphenylmethyl 1-oxo-6-bromopenicillanate

IUCrData ◽  
2020 ◽  
Vol 5 (2) ◽  
Author(s):  
Krishnan Soundararajan ◽  
Velusamy Sethuraman ◽  
Kaliyaperumal Thanigaimani
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Envelope Conformation ◽  
Compound C ◽  
Planar Conformation ◽  
Thiazolidine Ring ◽  
Lactamase Inhibitor

In the title compound, C21H20BrNO4S, a key intermediate in the synthesis of the widely used β-lactamase inhibitor tazobactam, the five-membered thiazolidine ring adopts an envelope conformation and the four-membered azetidine ring is in a distorted planar conformation. The crystal structure features C—H...O hydrogen bonds and a weak C—H...π interaction.

(3R,4R)-(–)-3-Hydroxymethyl-4-phenyl-2-o-toluoyl-1,2,3,4-tetrahydroisoquinoline

2006 ◽  
Vol 62 (5) ◽  
pp. o1774-o1776 ◽  
Author(s):  
Andrzej Gzella ◽  
Maria Chrzanowska ◽  
Agnieszka Dreas ◽  
Michał S. Kaczmarek ◽  
Zenon Woźniak
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Absolute Configuration ◽  
Title Compound ◽  
Phenyl Ring ◽  
Heterocyclic Ring ◽  
Hydroxymethyl Group ◽  
Envelope Conformation ◽  
Compound C ◽  
The Absolute

The absolute configuration of the title compound, C24H23NO2, has been confirmed as 3R,4R. The hydroxymethyl group and phenyl ring at the asymmetric C atoms exhibit α and β orientations, respectively, and the non-planar heterocyclic ring of the tetrahydroisoquinoline system adopts an envelope conformation. The crystal structure is stabilized through hydrogen bonds.

scholarly journals Crystal structure of (±)-(4RS,5RS,7SR)-4-[(1RS,2RS,3RS,6RS)-3-benzoyloxy-2-(2-hydroxyethyl)-6-methoxymethoxy-2-methylcyclohexyl]-8,10,10-trimethyl-2-oxo-1,3-dioxaspiro[4.5]dec-8-en-7-yl benzoate benzene monosolvate

2015 ◽  
Vol 71 (1) ◽  
pp. 8-11 ◽  
Author(s):  
Takeshi Oishi ◽  
Yuu Yamaguchi ◽  
Keisuke Fukaya ◽  
Tomoya Sugai ◽  
Ami Watanabe ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Benzene Molecule ◽  
Π Interactions ◽  
Envelope Conformation ◽  
Compound C ◽  
Graph Set

In the title compound, C36H44O10·C6H6, the dioxolane ring adopts an envelope conformation with the C atom bonded to the H atom as the flap, while the cyclohexene and cyclohexane rings are in half-chair and chair conformations, respectively. In the crystal, a pair of O—H...O hydrogen bonds with anR22(26) graph-set motif connect the benzoate molecules into an inversion dimer. The dimers are linked by a weak C—H...O interaction into a tape structure along [01-1]. The benzene molecule links the tapes through C—H...O and C—H...π interactions, forming a sheet parallel to (100).

scholarly journals Crystal structure of (E)-5,5-dimethyl-2-[3-(4-nitrophenyl)allylidene]cyclohexane-1,3-dione

2015 ◽  
Vol 71 (7) ◽  
pp. o485-o486 ◽  
Author(s):  
Jae Kyun Lee ◽  
Sun-Joon Min ◽  
Yong Seo Cho ◽  
Jang Hyuk Kwon ◽  
Junghwan Park
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Title Compound ◽  
Envelope Conformation ◽  
Compound C

In the title compound, C17H17NO4, the cylohexane-1,3-dione ring adopts an envelope conformation with the dimethyl-subsituted C atom as the flap. Its mean plane is inclined to the benzene ring by 7.99 (19)°. The molecule has atransconformation about the bridging C=C bonds of the allyidene chain. In the crystal, molecules are linkedviapairs of C—H...O hydrogen bonds, forming inversion dimers. The dimers are linked by further C—H.·O hydrogen bonds, forming sheets lying parallel to (10-1).

scholarly journals Crystal structure of tetraethyl 27,30-dioxo-7,12,20,25-tetra-tert-butyl-3,16-dioxa-9,22,28,31-tetrathiaheptacyclo[21.3.1.11,5.14,8.110,14.114,18.117,21]dotriaconta-4,6,8(29),10,12,17,19,21(32),23,25-decaene-2,2,15,15-tetracarboxylate

2015 ◽  
Vol 71 (10) ◽  
pp. o778-o779
Author(s):  
Mehmet Akkurt ◽  
Jerry P. Jasinski ◽  
Shaaban K. Mohamed ◽  
Omran A. Omran ◽  
Mustafa R. Albayati
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Membered Ring ◽  
Asymmetric Unit ◽  
Axis Direction ◽  
Tert Butyl ◽  
Envelope Conformation ◽  
Compound C ◽  
A Chain

The asymmetric unit of the title compound, C54H64O12S4, consists of one half of the molecule, which is located on an inversion centre. The heterocyclic six-membered ring adopts a distorted envelope conformation with the spiro C atom as the flap. In the crystal, molecules are linked by weak C—H...O hydrogen bonds with anR22(14) motif, forming a chain along theb-axis direction.

scholarly journals Crystal structure of 3-amino-5,5-dimethyl-2-[(E)-2-nitroethenyl]cyclohex-2-en-1-one

2014 ◽  
Vol 70 (11) ◽  
pp. 379-381
Author(s):  
Brigita Vigante ◽  
Dmitrijs Stepanovs ◽  
Andrejs Pelss ◽  
Anatoly Mishnev
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Asymmetric Unit ◽  
Envelope Conformation ◽  
Compound C ◽  
The Mean ◽  
Independent Molecules

The asymmetric unit of the title compound, C10H14N2O3, contains two independent molecules with similar conformations. In the both molecules, the cyclohexene rings adopt the same envelope conformation with the flap C atoms lying 0.658 (3) and 0.668 (3) Å from the mean planes formed by the remaining atoms. In the crystal, adjacent molecules are connectedviaN—H...O hydrogen bonds and weak C—H...O interactions, forming supramolecular layers parallel to (-101).

scholarly journals Crystal structure of 7,7-dimethyl-6-methylidenetricyclo[6.2.1.01,5]undecane-2-carboxylic acid

2015 ◽  
Vol 71 (2) ◽  
pp. o94-o94
Author(s):  
Noureddine Beghidja ◽  
Samir Benayache ◽  
Fadila Benayache ◽  
David W. Knight ◽  
Benson M. Kariuki
Keyword(s):  
Crystal Structure ◽  
Carboxylic Acid ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Rotation Axis ◽  
Chair Conformation ◽  
Membered Ring ◽  
Envelope Conformation ◽  
Compound C ◽  
Carboxylic Groups

In the title compound, C15H22O2, both five-membered rings display an envelope conformation whereas the six-membered ring displays a chair conformation. In the crystal, pairs of O—H...O hydrogen bonds between carboxylic groups link molecules, related by a twofold rotation axis, into supramolecular dimers.

scholarly journals Crystal structure of ethyl 1′,1′′-dimethyl-2′′,3-dioxo-3H-dispiro[benzo[b]thiophene-2,3′-pyrrolidine-2′,3′′-indoline]-4′-carboxylate

2015 ◽  
Vol 71 (3) ◽  
pp. o142-o142
Author(s):  
M. P. Savithri ◽  
M. Suresh ◽  
R. Raghunathan ◽  
R. Raja ◽  
A. SubbiahPandi
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Ring System ◽  
Pyrrolidine Ring ◽  
Ring Systems ◽  
Envelope Conformation ◽  
Compound C ◽  
The Mean

In the title compound, C23H22N2O4S, the pyrrolidine ring has an envelope conformation with the spiro C atom, shared with the indoline ring system, as the flap. The mean planes of the benzothiophene and indoline ring systems are inclined to the mean plane of the pyrrolidine ring by 88.81 (8) and 79.48 (8)°, respectively, and to each other by 68.12 (5)°. In the crystal, molecules are linkedviaC—H...O hydrogen bonds, forming chains propagating along [001].

scholarly journals Crystal structure of 3-C-(N-benzyloxycarbonyl)aminomethyl-3-deoxy-1,2:5,6-di-O-isopropylidene-α-D-allofuranose

2015 ◽  
Vol 71 (10) ◽  
pp. 1212-1215 ◽  
Author(s):  
Vitalijs Rjabovs ◽  
Dmitrijs Stepanovs ◽  
Maris Turks
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Axis Direction ◽  
Envelope Conformation ◽  
Compound C ◽  
Carbamate Group

The title compound, C21H29NO7(1) [systematic name: benzyl ({(3aR,5S,6R,6aR)-5-[(R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyltetrahydrofuro[2,3-d][1,3]dioxol-6-yl}methyl)carbamate], consists of a substituted 2,2-dimethyltetrahydrofuro[2,3-d][1,3]dioxolane skeleton. The furanose ring adopts an envelope conformation close toC3-exo, where the C atom substituted by the benzyl carbamate group is the flap. The fused dioxolane ring also adopts an envelope conformation, as does the terminal dioxolane ring, with in each case an O atom as the flap. In the crystal, molecules are linked by N—H...O and C–H...O hydrogen bonds, forming chains propagating along theb-axis direction.

scholarly journals Crystal structure of 1-(cyclopentylideneamino)-3-(prop-2-en-1-yl)thiourea

2015 ◽  
Vol 71 (12) ◽  
pp. o924-o925
Author(s):  
Shaaban K. Mohamed ◽  
Joel T. Mague ◽  
Mehmet Akkurt ◽  
Alaa A. Hassan ◽  
Ahmed T. Abdel-Aziz ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Envelope Conformation ◽  
Compound C

In the title compound, C9H15N3S, the cyclopentyl ring adopts an envelope conformation with one of the methylene C atoms as the flap. The thiosemicarbazide fragment is almost planar (r.m.s. deviation = 0.038 Å) and a short intramolecular N—H...N contact occurs. In the crystal, molecules are linked into helical (41symmetry) chains propagating in [001] by N—H...N and N—H...S hydrogen bonds. A very weak C—H...S interaction is also observed.

scholarly journals Crystal structure of 2-isopropyl-5,7′-dimethyl-1′,3′,3a',6′,8a',8b'-hexahydrospiro[cyclohexane-1,6′-furo[3,4-d]imidazo[1,5-b]isoxazol]-8′(7′H)-one

2016 ◽  
Vol 72 (8) ◽  
pp. 1150-1152
Author(s):  
Heithem Abda ◽  
Khaireddine Ezzayani ◽  
Kaiss Aouadi ◽  
Taha Guerfel ◽  
Sebastien Vidal ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
The Other ◽  
Axis Direction ◽  
Envelope Conformation ◽  
Compound C ◽  
The Mean

In the title compound, C17H28N2O3, the isoxazolidine ring adopts an envelope conformation with the O atom deviating from the mean plane of the other four ring atoms by 0.617 (1) Å. In the crystal, molecules are linkedviaweak C—H...O hydrogen bonds, forming chains which extend along theb-axis direction.

Sign in / Sign up

Export Citation Format

Share Document