Browse
Submit Data
Databases
API
Help

Dataset Information

24 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

N,N'-(Ethane-1,2-di-yl)bis-(4-chloro-benzene-sulfonamide).

ABSTRACT: The title mol-ecule, C(14)H(14)Cl(2)N(2)O(4)S(2), lies on an inversion center. The mol-ecule is twisted in the region of the sulfonamide group with a C-S-N-C torsion angle of -67.49?(16)°. In the crystal, mol-ecules are connected via inter-molecular N-H?O and weak C-H?O hydrogen bonds, forming layers parallel to (100).

SUBMITTER: Al-Dajani MT

PROVIDER: S-EPMC3200590 | biostudies-literature | 2011 Sep

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

N,N'-(Ethane-1,2-di-yl)bis-(4-chloro-benzene-sulfonamide).

Al-Dajani Mohammad T M MT Wahab Habibah A HA Shamsuddin Shaharum S Hemamalini Madhukar M Fun Hoong-Kun HK

Acta crystallographica. Section E, Structure reports online 20110802 Pt 9

The title mol-ecule, C(14)H(14)Cl(2)N(2)O(4)S(2), lies on an inversion center. The mol-ecule is twisted in the region of the sulfonamide group with a C-S-N-C torsion angle of -67.49 (16)°. In the crystal, mol-ecules are connected via inter-molecular N-H⋯O and weak C-H⋯O hydrogen bonds, forming layers parallel to (100). ...[more]

PMID: 22058909

Similar Datasets

N,N'-{[Ethane-1,2-diylbis(-oxy)]bis-(ethane-2,1-di-yl)}bis-(4-methyl-benzene-sulfonamide).

Project description:The asymmetric unit of the title compound, C(20)H(28)N(2)O(6)S(2), contains one half-mol-ecule, related to the other half by a twofold rotation axis. The two aromatic rings of the mol-ecule make a dihedral angle of 50.91?(7)°. The O-CH(2)-CH(2)-O and N-CH(2)-CH(2)-O fragments both adopt gauche conformations, with torsion angles of 76.0?(4) and 70.4?(3)°, respectively. In the crystal, adjacent mol-ecules are linked through N-H?O hydrogen bonds into chains along the a-axis direction. The chains are further connected via C-H?O inter-actions into a two-dimensional supra-molecular network in the ac plane.

| S-EPMC3393259 | biostudies-literature

N,N'-(Ethane-1,2-di-yl)dibenzene-sulfonamide.

Project description:In the title compound, C(14)H(16)N(2)O(4)S(2), the dihedral angle between the terminal phenyl rings is 77.07 (13)°. The geometries around the S atoms are distorted tetra-hedral, with O-S-O angles of 120.66 (12) and 119.44 (11)°. In the crystal, mol-ecules are stacked in columns along the a axis via inter-molecular N-H⋯O and C-H⋯O hydrogen bonds.

| S-EPMC3200692 | biostudies-literature

Crystal structures of isomeric 3,5-di-chloro-N-(2,3-di-methyl-phen-yl)benzene-sulfonamide, 3,5-di-chloro-N-(2,6-di-methyl-phen-yl)benzene-sulfonamide and 3,5-di-chloro-N-(3,5-di-methyl-phen-yl)benzene-sulfonamide.

Project description:The crystal structures of three isomeric compounds of formula C14H13Cl2NO2S, namely 3,5-di-chloro-N-(2,3-di-methyl-phen-yl)-benzene-sulfonamide (I), 3,5-di-chloro-N-(2,6-di-methyl-phen-yl)benzene-sulfonamide (II) and 3,5-di-chloro-N-(3,5-di-methyl-phen-yl)benzene-sulfonamide (III) are described. The mol-ecules of all the three compounds are U-shaped with the two aromatic rings inclined at 41.3 (6)° in (I), 42.1 (2)° in (II) and 54.4 (3)° in (III). The mol-ecular conformation of (II) is stabilized by intra-molecular C-H⋯O hydrogen bonds and C-H⋯π inter-actions. The crystal structure of (I) features N-H⋯O hydrogen-bonded R22(8) loops inter-connected via C(7) chains of C-H⋯O inter-actions, forming a three-dimensional architecture. The structure also features π-π inter-actions [Cg⋯Cg = 3.6970 (14) Å]. In (II), N-H⋯O hydrogen-bonded R22(8) loops are inter-connected via π-π inter-actions [inter-centroid distance = 3.606 (3) Å] to form a one-dimensional architecture running parallel to the a axis. In (III), adjacent C(4) chains of N-H⋯O hydrogen-bonded mol-ecules running parallel to [010] are connected via C-H⋯π inter-actions, forming sheets parallel to the ab plane. Neighbouring sheets are linked via offset π-π inter-actions [inter-centroid distance = 3.8303 (16) Å] to form a three-dimensional architecture.

| S-EPMC5418781 | biostudies-literature

1,2-Bis(di-2-pyridylphosphino-yl)ethane.

Project description:The crystal structure of the title compound, C(22)H(20)N(4)O(2)P(2), consists of two independent half-mol-ecules, both of which lie on crystallographic inversion centres. There are no significant differences between the two mol-ecules.

| S-EPMC2968607 | biostudies-literature

N,N'-[(1S,2S)-Cyclo-hexane-1,2-di-yl]bis-(4-methyl-benzene-sulfonamide).

Project description:In the title compound, C(20)H(26)N(2)O(4)S(2), the cyclo-hexane ring has a chair conformation. The two chiral C atoms are in S configurations. In the crystal, inter-molecular N-H?O hydrogen bonds link the mol-ecules into chains propagating in [001]. Weak inter-molecular C-H?O hydrogen bonds further stabilize the crystal packing.

| S-EPMC3089204 | biostudies-literature

N,N'-(Ethane-1,2-di-yl)di-benzene-carbo-thio-amide.

Project description:The title compound, C16H16N2S2, adopts a gauche (+)-gauche (+)-gauche (+) (g(+)g(+)g(+) ) conformation in the NH-CH2-CH2-NH bond sequence. In the crystal, mol-ecules are connected by pairs of N-H?S=C hydrogen bonds and C-H?? inter-actions, forming a tape structure along the c-axis direction.

| S-EPMC4011219 | biostudies-literature

1,1'-(Ethane-1,2-di-yl)bis-(1,4,7-triazonane).

Project description:In the centrosymmetric title compound (dtne), C(14)H(32)N(6), two 1,4,7-triaza-cyclo-nonane (tacn, or 1,4,7-triazonane) moieties are linked together each at an amino position by a single ethyl-ene spacer. The mol-ecular packing is supported by pairs of inter-molecular N-H?N hydrogen bonds, which form R(2) (2)(22) ring motifs and link the mol-ecules into infinite chains running parallel to the a axis.

| S-EPMC2979561 | biostudies-literature

1,1'-(Ethane-1,2-di-yl)dipyridinium bis-(iodate).

Project description:The title salt, C(12)H(14)N(2) (2+)·2IO(3) (-), exhibits two crystallographically independent iodate anions, the I atoms of which are each in a trigonal-pyramidal environment. In the dication, the two pyridine rings adopt an anti conformation with respect to each other; the angle between these two rings is 3.84 (19)°. In the crystal structure, C-H⋯O hydrogen bonds between the cations and anions lead to the formation of layers arranged parallel to the ab plane. I⋯O halogen bonds [R(2) (2)(4) graph-set motif] range between 2.873 (2) and 3.036 (3) Å and connect neighbouring IO(3) (-) anions with each other along [100], so as to create a three-dimensional network.

| S-EPMC3151914 | biostudies-literature

1,1'-(Ethane-1,2-di-yl)bis-(indoline-2,3-dione).

Project description:The mol-ecule of the title compound, C(18)H(12)N(2)O(4), is situated on a crystallographic centre of symmetry. The mol-ecule has a zigzag structure, with two parallel symmetry-related indoline-2,3-dione fragments linked by an ethyl-ene group at each N atom. In the crystal, the mol-ecules stack in columns along the b axis. There are two such columns in the structure. The mol-ecules within each column are parallel; however, the mol-ecules in the two columns differ in the respective orientation of the indoline-2,3-dione fragments. In one column, they are approximately parallel to (112), while in the other they are approximately parallel to (12). The inter-planar angle between the indoline-2,3-dione fragments in the two columns is 80.83?(3)°. The mol-ecules within each column are related by mutual displacement of their centres of symmetry, that is (0, ±1/2, ±1/2). The packing between the mol-ecules is provided by weak inter-actions only, viz. C-H?O hydrogen bonds and ?-? [centroid-centroid distance = 3.8745?(8)?Å] and C=O?? inter-actions.

| S-EPMC3006689 | biostudies-literature

1,1'-(Ethane-1,2-di-yl)bis-(3-phenyl-thio-urea).

Project description:The complete molecule of the title compound, C(16)H(18)N(4)S(2), is generated by crystallographic inversion symmetry. The dihedral angle between the phenyl ring and the thio-urea group is 52.9?(4)°. The crystal structure displays inter-molecular N-H?S hydrogen bonding, which generates sheets in the ab plane.

| S-EPMC3247560 | biostudies-literature

OmicsDI is part of the ELIXIR infrastructure

OmicsDI is an Elixir interoperability service. Learn more ›

Tweets

OmicsDI Databases

PRIDE
PeptideAtlas
MassIVE
JPOST Repository
Physiome Model Repository

EGA
EVA
ENA
LINCS
PAXDB
Cell Collective

MetaboLights
Metabolomics Workbench
MetabolomeExpress
GNPS
BioModels
FAIRDOMHub

ArrayExpress
dbGaP
ExpressionAtlas
GEO
NODE

Information

Databases
Help
API
Contact us
Code on GitHub
Terms of use
Submit Data