Patent ID: 11866459
Assignee: NATIONAL INSTITUTES FOR FOOD AND DRUG CONTROL
Field: Pharmaceuticals (Chemistry)
Classification: CPC C  A | IPC A  C

Claim 3:
4. The cocrystal of progesterone according to claim 1, characterized in that
(1) wherein when the cocrystal former is isophthalic acid, a progesterone-isophthalic acid cocrystal is obtained, wherein the progesterone-isophthalic acid cocrystal belongs to a triclinic system with a space group of P1 and unit cell parameters of a=21.889(6) Å, b=7.4735(17) Å, c=16.423(4) Å, α=γ=90°, β=125.052(14), V=2199.3(9) Å3 and Z=4; ρcalcg=1.228 cm3; μ=0.083 mm−1; F(000)=880; radiation of Mo-Kα; 2θ range of 1.51° to 27.51°; index ranges of −28≤h≤28, −9≤k≤9 and −20≤l≤21; reflections collected=14151; unique reflections, Rint=4693, 0.2434; unique reflections data/restraints/parameters=4693/5/277; goodness-of-fit (GOF)=0.912; R1[I>2(I)]=0.0677; wR2 (a11)=0.2780; and largest difference peak/hole=0.725/−0.801 e Å−3;
(2) wherein when the cocrystal former is 4-formylbenzeneboronic acid, a progesterone-4-formylbenzeneboronic acid cocrystal was obtained, wherein the progesterone-4-formylbenzeneboronic acid cocrystal belongs to an orthorhombic system with a space group of P212121, and unit cell parameters of a=9.2744(17)Å, b=14.001(3)Å, c=19.632(4)Å, α=β=γ=90°, V=2549.2(8)Å3 and Z=4; ρcalcg=1.215 cm3; μ=0.081 mm−1; F(000)=1000; radiation of Mo-Kα; 2θ range of 3.35° to 27.50°; index ranges of −12≤h≤10, −18≤k≤18 and −25≤l≤21; reflections collected=17964; unique reflections, Rint=5828, 0.0488; unique reflections data/restraints/parameters=5828/0/311; goodness-of-fit (GOF)=0.918; R1[I>2(I)]=0.0476; wR2 (a11)=0.1281; and largest difference peak/hole=0.144/−0.147 e Å−3; and
(3) wherein when the cocrystal former is 3-nitrophthalic acid, a progesterone-3-nitrophthalic acid cocrystal is obtained, wherein the progesterone-3-nitrophthalic acid cocrystal belongs to an orthorhombic system with a space group of P212121, and unit cell parameters of a=7.7804(8)Å, b=15.6533(15)Å, c=22.414(2)Å, α=β=γ=90°, V=2729.8(5)Å3 and Z=4; ρcalcg=1.323 cm3; μ=0.098 mm−1; F(000)=1160; radiation of Mo-Kα; 2θ range of 1.59° to index ranges of −8≤h≤9, −18≤k≤18 and −27≤l≤23; reflections collected=14423; unique reflections, Rint=5036, 0.0304; unique reflections data/restraints/parameters=5036/3/366; goodness-of-fit (GOF)=1.004; R1[I>2(I)]=0.0409; wR2(a11)=0.1101; and largest difference peak/hole=0.226/−0.223 e Å−3.