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N-Cyclo-pentyl-N-(3-oxo-2,3-dihydro-1H-inden-1-yl)acetamide.

ABSTRACT: The title mol-ecule, C(16)H(19)NO(2), consists of an indane moiety, which is connected through an N atom to an acetamide group and a cyclo-pentane ring. The N atom adopts planar triangular geometry. Inter-molecular inter-actions, such as π-π stacking or hydrogen bonding, were not observed.

SUBMITTER: Zhang T

PROVIDER: S-EPMC3343937 | biostudies-literature |

REPOSITORIES: biostudies-literature

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3-Oxo-2,3-dihydro-1H-inden-4-yl acetate.

Project description:In the title compound, C(11)H(10)O(3), the 1-indanone unit is essentially planar (r.m.s. deviation = 0.036?Å). In the crystal, mol-ecules are linked by non-classical C-H?O hydrogen bonds, forming a C(6) chain along [010].

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2,4-Dibromo-2,3-dihydro-1H-inden-1-yl acetate.

Project description:In the title compound, C(11)H(10)Br(2)O(2), the cyclo-pentene ring fused to the benzene ring adopts an envelope conformation, with the C atom attached to the Br atom as the flap. The crystal structure does not exhibit any classical hydrogen bonds. The mol-ecular packing is stabilized by van der Waals forces and ?-? stacking inter-actions with a centroid-centroid distance of 3.811?(4)?Å.

| S-EPMC3379444 | biostudies-literature

1-{[(2,3-Dihydro-1H-inden-2-yl)-oxy]meth-yl}quinazoline-2,4(1H,3H)-dione.

Project description:In the title mol-ecule, C(18)H(16)N(2)O(3), the five-membered ring has an envelope conformation, with the substituted C atom deviating by 0.342?(4)?Å from the mean plane P calculated for the remainder of the non-H atoms of the 2,3-dihydro-1H-indene fragment. The mean planes of quinazoline-2,4(1H,3H)-dione fragment and P form a dihedral angle of 59.08?(4)°. In the crystal, pairs of N-H?O hydrogen bonds link mol-ecules into inversion dimers, and weak C-H?O hydrogen bonds and ?-? inter-actions between the benzene rings of the quinazoline ring systems [centroid-centroid distance = 3.538?(3)?Å] further consolidate the packing.

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N-(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)acetamide-naphthalene-2,3-diol (1/1).

Project description:In the reaction of naphthalene-2,3-diol and 4-amino-anti-pyrine in the presence of acetic acid, the amine function is acetyl-ated and the resulting acetamide co-crystallizes with the diol in the title compound, C(13)H(15)N(3)O(2)·C(10)H(8)O(2), with 1:1 molar stoichiometry. The two components are linked by two O-H?O=C hydrogen bonds. One of the hy-droxy groups inter-acts with the pyrazolone carbonyl O atom and the other hy-droxy group inter-acts with the amide O atom of another component, generating a chain motif. Adjacent chains are linked into a layer motif via N-H?O inter-actions involving only the heterocyclic acetamide component.

| S-EPMC3007032 | biostudies-literature

(1E,2E)-1,2-Bis(2,3-dihydro-1H-inden-1-yl-idene)hydrazine.

Project description:In the title compound, C(18)H(16)N(2), there are two independent half-mol-ecules (A and B) in the asymmetric unit, each mol-ecule being completed by an inversion center situated in the mid-point of the central N-N bond. The mol-ecules themselves therefore are essentially planar with r.m.s. deviations of 0.015?(1) and 0.020?(1)?Å, respectively. In the crystal, mol-ecules are connected via C-H?? inter-actions in which only type B mol-ecules are donors, while both A and B mol-ecules act as acceptors. As a result, type B mol-ecules are linked into infinite chains along b, which are inter-connected by molecules of type A.

| S-EPMC3435753 | biostudies-literature

2-(2,4-Dichloro-phen-yl)-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)acetamide.

Project description:In the crystal structure of the title compound, C19H17Cl2N3O2, the mol-ecules form dimers of the R2(2)(10) type through N-H?O hydrogen bonding. As a result of steric repulsion, the amide group is rotated with respect to both the dichloro-phenyl and 2,3-dihydro-1H-pyrazol-4-yl rings, making dihedral angles of 80.70?(13) and 64.82?(12)°, respectively. The dihedral angle between the dichloro-phenyl and 2,3-dihydro-1H-pyrazol-4-yl rings is 48.45?(5)° while that between the 2,3-dihydro-1H-pyrazol-4-yl and phenyl rings is 56.33?(6)°.

| S-EPMC3588232 | biostudies-literature

2-(2,6-Dichloro-phen-yl)-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)acetamide.

Project description:In the title compound, C19H17Cl2N3O2, the amide group is planar and, through N-H?O hydrogen bonding to an adjoining mol-ecule, forms dimers of the R2(2)(10) type. As a result of steric repulsion, the amide group is rotated with respect to both the dichloro-phenyl and 2,3-dihydro-1H-pyrazol-4-yl rings, making dihedral angles of 71.63?(11) and 57.93?(10)°, respectively. The dihedral angle between the dichloro-phenyl and 2,3-dihydro-1H-pyrazol-4-yl rings is 76.60?(10)° while that between the 2,3-dihydro-1H-pyrazol-4-yl and phenyl rings is 49.29?(7)°. The crystal structure also features weak C-H?O inter-actions.

| S-EPMC3588313 | biostudies-literature

2-(3,4-Dichloro-phen-yl)-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)acetamide.

Project description:In the title compound, C19H17Cl2N3O2, there are three mol-ecules (A, B and C) in the asymmetric unit and each differs in the conformation adopted. As a result of steric repulsion, the amide group is rotated with respect to both the dichloro-phenyl and 2,3-dihydro-1H-pyrazol-4-yl rings, making dihedral angles of 44.5?(2) and 56.2?(2)°, respectively in A, 51.1?(2) and 54.1?(2)° in B, and 53.8?(2) and 54.6?(2)° in C. The dihedral angles between the dichloro-phenyl and 2,3-dihydro-1H-pyrazol-4-yl rings are 54.8?(2), 76.2?(2) and 77.5?(2)° in mol-ecules A, B and C, respectively, while the 2,3-dihydro-1H-pyrazol-4-yl and phenyl rings make dihedral angles of 45.3?(2), 51.2?(2) and 42.8?(2)°, respectively. In the crystal, two of the mol-ecules are linked through N-H?O hydrogen bonding to an adjoining mol-ecule, forming dimers of the R2(2)(10) type, while the third mol-ecule forms such dimers with itself. C-H?O inter-actions link the dimers.

| S-EPMC3588482 | biostudies-literature

(2E)-2-(Furan-2-yl-methyl-idene)-2,3-dihydro-1H-inden-1-one.

Project description:In the title compound, C(14)H(10)O(2), the five-membered ring of the inden-1-one residue is almost planar (r.m.s. deviation = 0.035?Å). A twist about the single bond linking the two residues is evident [C-C-C-C torsion angle = -13.2?(5)°]. The three-dimensional architecture is stabilized by C-H?O (involving the trifurcated carbonyl O atom), C-H?? and ?-? inter-actions [between the five- and six-membered rings of inden-1-one residues; ring centroid-centroid distance = 3.7983?(17)?Å]. The sample studied was a non-merohedral twin; the minor component refined to approximately 36%.

| S-EPMC3344023 | biostudies-literature

N-(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-[4-(methyl-sulfan-yl)phen-yl]acetamide.

Project description:In the title compound, C(20)H(21)N(3)O(2)S, the 2,3-dihydro-1H-pyrazole ring is nearly planar (r.m.s. deviation = 0.023?Å) and forms dihedral angles of 16.96?(6) and 38.93?(6)° with the benzene and phenyl rings, respectively. The dihedral angle between the benzene and phenyl rings is 55.54?(6)°. The mol-ecular conformation is consolidated by an intra-molecular C-H?O hydrogen bond, which forms an S(6) ring. In the crystal, inversion dimers linked by pairs of N-H?O(p) (p = pyrazole) hydrogen bonds generate R(2) (2)(10) loops. The dimers are linked by C-H?O hydrogen bonds into sheets lying parallel to (100).

| S-EPMC3435699 | biostudies-literature

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