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N-tert-But-oxy-carbonyl-?-(2-fluoro-benzyl)-l-proline.

ABSTRACT: In the title compound, C17H22FNO4, the pyrrolidine ring adopts an envelope conformation with the disordered com-ponents of the methylene C atom, with site occupancies of 0.896?(7) and 0.104?(7), being the flap on either side of the mean plane involving the other atoms of the ring. The carb-oxy-lic acid group forms dihedral angles of 72.06?(11) and 45.44?(5)° with the N-tert-but-oxy-carbonyl group and the 2-fluoro-benzyl group, respectively. In the crystal, two-dimensional layers of mol-ecules parallel to (001) are built through an R 4 (4)(23) motif generated via O-H?O, C-H?O and C-H?F inter-actions, and an R 2 (2)(11) motif generated by C-H?O and C-H?F inter-actions.

SUBMITTER: Rajalakshmi P

PROVIDER: S-EPMC3793788 | biostudies-literature |

REPOSITORIES: biostudies-literature

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2-[(tert-But-oxy-carbonyl-amino)-oxy]acetic acid.

Project description:The title compound, C(7)H(13)NO(5), was prepared by the condensation of O-(carb-oxy-meth-yl)hydroxyl-amine and (Boc)(2)O (Boc = but-oxy-carbon-yl).In the crystal, mol-ecules are linked by weak inter-molecular N-H⋯O hydrogen bonds.

| S-EPMC3200616 | biostudies-literature

tert-Butyl N-[(11-exo-benzyl-oxy-carbonyl-8-oxopenta-cyclo-[5.4.0.0.0.0]undecane-11-endo-yloxy)carbon-yl-methyl]carbamate.

Project description:The structure of the title compound, C(26)H(29)NO(7), at 173 K has an inter-molecular N-H⋯O hydrogen bond. This is one of the few examples where a mono-ketone penta-cyclo-undecane (PCU) mol-ecule exibits hydrogen bonding in the solid state. The dihedral angles of the amide and ester groups are normal and unaffected by the cage structure. A longer than normal C-C bond [1.571 (4) Å] was found within the cage structure.

| S-EPMC2983419 | biostudies-literature

N-But-oxy-carbonyl-5-oxo-l-proline ethyl ester.

Project description:The mol-ecular structure of the title compound, C12H19NO5, may be visualized as made up of two nearly perpendicular planes [dihedral angle = 87.39 (12)°] and its crystal structure is a good example of C-H⋯O inter-actions assuming significance in optimizing supra-molecular aggregation in crystals in a mol-ecule which is severely imbalanced in terms of donors to acceptor atoms. The pyrrolidine ring adopts a ((3) T 2) twist conformation with puckering parameters Q = 0.2630 (4) Å and ϕ = 59 (9)°. The crystal structure features R 2 (4)(10) and R 3 (4)(26) ring motifs formed by four weak C-H⋯O inter-actions, leading to supra-molecular sheets lying parallel to the bc plane.

| S-EPMC3629616 | biostudies-literature

2-(tert-Butoxy-carbonyl-amino)-2-(2-fluoro-phen-yl)acetic acid.

Project description:The title compound, C(13)H(16)FNO(4), consists of conventional, centrosymmetric carboxyl-ate dimers. These dimers form infinite polymeric chains due to inter-molecular N-H?O hydrogen bonding. The 2-fluoro-phenyl unit is disordered over two sets of sites with an ocupancy ratio of 0.915?(3):0.085?(3).

| S-EPMC2971223 | biostudies-literature

2-Fluoro-N'-(2-meth-oxy-benzyl-idene)benzohydrazide.

Project description:The mol-ecule of the title compound, C(15)H(13)FN(2)O(2), exists in a trans configuration with respect to the methyl-idene unit. The two benzene rings form a dihedral angle of of 64.7?(2)°. In the crystal, mol-ecules are linked through N-H?O hydrogen bonds into chains propagating along the c axis.

| S-EPMC3050391 | biostudies-literature

4-Fluoro-N-[(E)-3,4,5-tri-meth-oxy-benzyl-idene]aniline.

Project description:The title compound, C16H16FNO3, exists in a trans configuration with respect to the C=N bond [1.258 (2) Å]. The central meth-oxy O atom deviates from the plane of the attached benzene ring by 0.0911 (14) Å. The dihedral angle between the aromatic rings is 47.58 (11)°. The crystal structure features C-H⋯N and C-H⋯O inter-actions.

| S-EPMC3793738 | biostudies-literature

5,11,17,23,29,35-Hexa-tert-butyl-37,38,39,40,41,42-hexa-kis-(eth-oxy-carbonyl-meth-oxy)calix[6]arene acetonitrile disolvate.

Project description:In the title compound, C(90)H(120)O(18)·2CH(3)CN, the calix[6]arene has a 1,2,3-alternate conformation and possesses inversion symmetry. It crystallizes as an acetonitrile disolvate, with a half-mol-ecule of calix[6]arene and one mol-ecule of solvent in the asymmetric unit. In the crystal, the two solvent mol-ecules are enclosed in voids between the calix[6]arene mol-ecules. They form weak C-H⋯O hydrogen bonds involving an O atom of the lower rim substituent. The cavity of the calix[6]arene itself is enclosed by two opposite phenol rings, which are turned into the cavity due to the presence of a C-H⋯π inter-action. The calix[6]arene mol-ecule exhibits disorder of one substituent on its lower rim [occupancy ratio 0.897 (3):0.103 (3)].

| S-EPMC3344542 | biostudies-literature

Methyl 2-(tert-but-oxy-carbonyl-amino)-1,3-thia-zole-5-carboxyl-ate.

Project description:The title compound, C(10)H(14)N(2)O(4)S, was synthesized by the reaction of methyl 2-amino-thia-zole-5-carboxyl-ate and di-tert-butyl carbonate. In this structure, the thia-zole ring is planar (mean deviation = 0.0011 Å). Two weak intra-molecular C-H⋯O hydrogen bonds are formed between two of the methyl groups and one carbonyl O atom, resulting in the formation of two twisted six-membered rings. Inter-molecular N-H⋯N hydrogen bonds link the mol-ecules to form centrosymmetric dimeric units, and the hydrogen-bond scheme is completed by inter-molecular C-H⋯O contacts.

| S-EPMC3007983 | biostudies-literature

N,N-Bis[2-(ethoxy-carbonyl-meth-oxy)-benzyl-idene]pyridine-2,6-dicarbohydrazide.

Project description:In the title compound, C(29)H(29)N(5)O(8), the ester group is disordered over two sites with site-occupancy factors of 0.91/0.09. The crystal structure is stabilized by inter- and intra-molecular hydrogen-bond inter-actions.

| S-EPMC2915248 | biostudies-literature

Methyl 2-[2-(tert-but-oxy-carbonyl-amino)-1,3-benzothia-zole-6-carboxamido]-acetate.

Project description:In the title compound, C(16)H(19)N(3)O(5)S, the dihedral angle between the benzene ring and the carbonyl-amino group is 18.18 (2)°. In the crystal, mol-ecules form centrosymmetric dimers via pairs of N-H⋯N hydrogen bonds. The dimers are connected via N-H⋯O hydrogen bonds into a three-dimensional network..

| S-EPMC3254462 | biostudies-literature

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