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1'-Acetyl-3-phenyl-6-oxa-4-thia-2-aza-spiro-[bicyclo-[3.2.0]hept-2-ene-7,3'-indolin]-2'-one.

ABSTRACT: In the title indoline compound, C(19)H(14)N(2)O(3)S, the pyrrolidine ring adopts an envelope conformation with the four-connected (spiro) C atom as the flap [displacement = 0.148 (3) Å]. The mean plane formed through the indoline unit is inclined at dihedral angles of 89.92 (16) and 59.54 (12)° with the thia-zole and phenyl rings, respectively; the dihedral angle between the latter rings is 9.55 (14)°. In the crystal, pairs of inter-molecular C-H⋯O hydrogen bonds link neighbouring mol-ecules into inversion dimers, producing R(2) (2)(6) hydrogen-bond ring motifs. Weak inter-molecular C-H⋯π as well as π-π inter-actions [centroid-centroid distance = 3.4041 (15) Å] further consolidate the crystal structure.

SUBMITTER: Fun HK

PROVIDER: S-EPMC3007916 | biostudies-literature |

REPOSITORIES: biostudies-literature

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2'-Methyl-3,5-diphenyl-spiro-[4,6-dioxa-2-aza-bicyclo-[3.2.0]hept-2-ene-7,4'-iso-quinoline]-1',3'(2'H,4'H)-dione.

Project description:In the title compound, C(25)H(18)N(2)O(4), the tetra-hydro-pyridine ring adopts a distorted envelope conformation with the spiro C atom at the flap position [deviation = 0.470?(2)?Å]. The dihydro-oxazole ring is planar (r.m.s. deviation = 0.013?Å) and it makes dihedral angles of 73.43?(8) and 4.24?(8)° with the two attached phenyl rings. The dihedral angle between oxetane and oxazole planes is 67.44?(9)°. In the crystal structure, C-H?O hydrogen bonds link neighbouring mol-ecules into zigzag chains along the b axis and these chains are linked via C-H?? inter-actions.

| S-EPMC2984019 | biostudies-literature

5-Meth-oxy-1,2',3-trimethyl-4,6-dioxa-2-aza-spiro-[bicyclo-[3.2.0]hept-2-ene-7,4'-isoquinoline]-1',3'(2'H,4'H)-dione.

Project description:In the isoquinoline ring system of the title mol-ecule, C(16)H(16)N(2)O(5), the N-heterocyclic ring is in a half-boat conformation. The dioxaaza-spiro ring is essentially planar [maximum deviation = 0.022?(1)?Å] and forms a dihedral angle of 24.56?(4)° with the benzene ring.

| S-EPMC3120469 | biostudies-literature

1-Benzyl-5-meth-oxy-2',3-dimethyl-4,6-dioxa-2-aza-spiro-[bicyclo-[3.2.0]hept-2-ene-7,4'-isoquinoline]-1',3'(2'H,4'H)-dione.

Project description:In the isoquinoline ring system of the title mol-ecule, C(22)H(20)N(2)O(5), the N-heterocyclic ring is in a half-boat conformation. The dioxa-2-aza-spiro ring is essentially planar [maximum deviation = 0.026?(1)?Å] and forms dihedral angles of 22.53?(5) and 64.46?(5)° with the benzene and phenyl rings, respectively. The mol-ecular structure is stabilized by a weak intra-molecular C-H?O hydrogen bond, which generates an S(7) ring motif. In the crystal, mol-ecules are linked via weak inter-molecular C-H?O and C-H?N hydrogen bonds into layers parallel to (102).

| S-EPMC3120373 | biostudies-literature

(1S*,4'S*,5R*)-1-Isobutyl-5-meth-oxy-2',3-dimethyl-4,6-dioxa-2-aza-spiro-[bicyclo-[3.2.0]hept-2-ene-7,4'-isoquinoline]-1',3'(2'H,4'H)-dione.

Project description:In the isoquinoline ring system of the title compound, C(19)H(22)N(2)O(5), the N-heterocyclic ring is in a half-chair conformation. The dioxa-2-aza-spiro ring is essentially planar [maximum deviation of 0.025?(1)?Å] and forms a dihedral angle of 23.51?(5)° with the benzene ring. In the crystal, mol-ecules are linked via weak inter-molecular C-H?O and C-H?N hydrogen bonds into chains along [010].

| S-EPMC3089195 | biostudies-literature

4-(2-Oxa-6-aza-spiro-[3.3]hept-6-yl)-benzo-nitrile.

Project description:In the title compound, C(12)H(12)N(2)O, the azetidine ring (r.m.s. deviation = 0.021?Å) and the oxetane ring (r.m.s. deviation = 0.014?Å) are nearly perpendicular to each other [dihedral angle = 89.7?(1)°]. The azetidine ring is twisted out of the plane of the benzene ring by 18.3?(1)°. In the crystal structure, mol-ecules are linked to form chains along the c axis by C-H?O hydrogen bonds.

| S-EPMC2979228 | biostudies-literature

(1S*,4'S*,5R*)-1-Isopropyl-5-meth-oxy-2',3-dimethyl-4,6-dioxa-2-aza-spiro-[bicyclo-[3.2.0]hept-2-ene-7,4'-isoquinoline]-1',3'(2'H,4'H)-dione.

Project description:In the isoquinoline ring system of the title mol-ecule, C(18)H(20)N(2)O(5), the N-heterocyclic ring is in a half-boat conformation. The dioxa-2-aza-spiro ring is essentially planar, with a maximum deviation of 0.029?(1)?Å, and makes a dihedral angle of 30.63?(5)° with the benzene ring. The mol-ecular structure is stabilized by a weak intra-molecular C-H?O hydrogen bond, which generates a S(6) ring motif. In the crystal, mol-ecules are linked via weak inter-molecular C-H?O hydrogen bonds into a three-dimensional supra-molecular network. Additional stabilization is provided by ?-? stacking inter-actions between symmetry-related benzene rings with a centroid-centroid distance of 3.6507?(5)?Å.

| S-EPMC3089152 | biostudies-other

Methyl 2-diphenyl-phosphor-yloxy-2-aza-bicyclo-[2.2.1]hept-5-ene-3-exo-carboxyl-ate.

Project description:In the title compound, C(20)H(20)NO(4)P, the dihedral angle between the phenyl rings is 68.52 (7)°. In the crystal structure, the mol-ecules are linked by a weak C-H⋯π(arene) inter-action along [010] involving the phenyl CH group and the phenyl rings. There are no further significant inter-molecular inter-actions.

| S-EPMC2968096 | biostudies-literature

3-(2,6-Dioxopiperidin-3-yl)-3-aza-bicyclo-[3.2.0]heptane-2,4-dione.

Project description:The title mol-ecule, C(11)H(12)N(2)O(4), consists of a 3-aza-bicyclo-[3.2.0]heptane group containing a nearly planar cyclo-butane ring (r.m.s. deviation of fitted atoms is 0.0609?Å), fused to a pyrrolidine ring, bonded to a 2,6-dioxopiperidine ring at the 3-position. The angle between the mean planes of the cyclo-butane and fused pyrrolidine ring is 67.6?(6)°. The dihedral angles between the mean planes of the pyrrolidine and cyclo-butane rings and the dioxopiperidine ring are 73.9?(2) and 62.4?(4)°, respectively. The pyrrolidine and dioxopiperidine rings are twisted about the 3-yl group [torsion angles = -55.0?(1) and 115.0?(1)°] in a nearly perpendicular manner. Crystal packing is influenced by extensive inter-molecular C-H?O and N-H?O inter-actions between all four carbonyl O atoms and H atoms from the cyclo-butane and dioxopiperidine rings, as well as between the N atom and an H atom from the cyclo-butane ring. In addition, weak ?-ring interactions also occur between H atoms from the cyclobutane ring and the five-membered pyrrolidine ring. As a result, mol-ecules are linked into infinite chains diagonally along the [101] plane of the unit cell in an alternate inverted pattern.

| S-EPMC2968123 | biostudies-literature

(1RS,4RS,5RS)-Methyl 2-(3,5-dinitro-benzo-yl)-2-oxa-3-aza-bicyclo-[3.3.0]oct-7-ene-4-carboxyl-ate.

Project description:The title compound, C(15)H(13)N(3)O(8), comprises two crystallographically independent mol-ecules in the asymmetric unit. In the crystal, intermolecular C-H?O hydrogen bonds link the molecules and short C=O?? contacts are seen.

| S-EPMC2977685 | biostudies-literature

7-Benzene-sulfonamido-3-ethenyl-8-oxo-5-thia-1-aza-bicyclo-[4.2.0]oct-2-ene-2-carboxylic acid methanol solvate.

Project description:In the title compound, C(15)H(14)N(2)O(5)S(2)·CH(4)O, the six-membered ring fused to the ?-lactam unit adopts a twisted conformation. In the crystal structure, the component mol-ecules are linked into a three-dimensional framework through inter-molecular N-H?S, N-H?O and O-H?O hydrogen bonds and C-H?O contacts.

| S-EPMC2977380 | biostudies-literature

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